SCHEMBL9688069

SCHEMBL9688069

O=C(CCc1ccccc1)NCCc1c2n(c3ccccc13)C(=O)CCC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10472793 0.86 MTNR1A (0.45) HPGDMTNR1AMTNR1BALDH1A1
SCHEMBL9687551 0.85 MTNR1A (0.45) HPGDMTNR1AMTNR1BALDH1A1
SCHEMBL10379104 0.84 SIGMAR1 (0.44) RAB9A
SCHEMBL9688855 0.84 RAB9A (0.47) HPGDMTNR1AMTNR1BKMT2AMEN1
Hydrochloric Acid SCHEMBL10379123 0.83 SIGMAR1 (0.43) RAB9A
SCHEMBL9688577 0.83 MTNR1A (0.45) MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL9688428 0.82 MTNR1A (0.44) MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL9687538 0.82 MTNR1A (0.57) HPGDMTNR1AMTNR1BKMT2AMEN1
SCHEMBL9797239 0.81 EGFR (0.47) HPGDKMT2AMEN1EGFRSRC
SCHEMBL9687680 0.80 HDAC1 (0.43) HPGDMTNR1AMTNR1BKMT2AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP claimed
EP-0279125-A1 Tetrahydropyrido(1,2-a)indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-08-24 EP claimed
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP disclosed
US-4968699-A CENTRAL NERVOUS SYSTEM; ANTIISCHEMIC AND ANTIHYPOXIC AGENTS; ACTIVE AGAINST CEREBRAL OXYGEN DEFICIENCY BEECHAM-WUELFING GMBH & CO. (DE) 1990-11-06 US disclosed
EP-0279125-A1 Tetrahydropyrido(1,2-a)indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-08-24 EP disclosed