SCHEMBL2905562

SCHEMBL2905562

O=C(O)OC1CNCCN1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.33
SLC6A11 P48066 3/20 0.33
SLC6A13 Q9NSD5 3/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
SLC6A12 P48065 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRA4 P48169 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7587103 1.00 SLC6A1 (0.33) SLC6A1SLC6A11SLC6A13TSHRLMNA
Hydrochloric Acid SCHEMBL8112201 0.98 SLC6A1 (0.32) SLC6A1SLC6A11SLC6A13TSHRLMNA
Hydrochloric Acid SCHEMBL7590833 0.98 SLC6A1 (0.32) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL10753923 0.81
SCHEMBL8103030 0.81 KDM4E (0.35)
SCHEMBL1351693 0.81 CHRM2 (0.33)
SCHEMBL19209920 0.79 SLC6A1 (0.31) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL31031091 0.79 CHRM2 (0.33)
Hydrochloric Acid SCHEMBL28060494 0.79 CHRM2 (0.33)
Hydrochloric Acid SCHEMBL27835399 0.79 CHRM2 (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2720744-B1 AN ANESTHETIC CIRCUIT DMF MEDICAL INCORPORATED (CA) 2017-09-06 EP claimed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN claimed
EP-1877505-B1 AMINE- AND PHTHALOCYANINE DYE-CONTAINING INK-JET INKS WITH IMPROVED OZONE FASTNESS HEWLETT PACKARD DEVELOPMENT CO (US) 2010-08-04 EP claimed
EP-1587795-A1 N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP claimed
EP-1529247-A1 USE OF SALTS OF LAYERED DOUBLE HYDROXIDES Clariant GmbH (DE) 2005-05-11 EP claimed
WO-2004063171-A1 N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-07-29 WO claimed
WO-2004019138-A1 USE OF SALTS OF LAYERED DOUBLE HYDROXIDES CLARIANT GMBH (DE) 2004-03-04 WO claimed
EP-0756593-B1 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 2000-09-20 EP claimed
EP-0756593-A1 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 1997-02-05 EP claimed
WO-1995029169-A2 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 1995-11-02 WO claimed
EP-0159889-B1 4-SUBSTITUTED PIPERAZINE-2-CARBOXYLIC ACIDS PROCESS AND PHARMACEUTICAL COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1992-09-30 EP claimed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN disclosed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN disclosed
EP-1587795-A1 N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP disclosed
EP-1529247-A1 USE OF SALTS OF LAYERED DOUBLE HYDROXIDES Clariant GmbH (DE) 2005-05-11 EP disclosed
EP-0796271-A1 NEW DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AKTIENGESELLSCHAFT (DE) 1997-09-24 EP disclosed
EP-0756593-A1 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 1997-02-05 EP disclosed
WO-1996017860-A1 NEW DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed
WO-1995029169-A2 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 1995-11-02 WO disclosed