SCHEMBL7466231

SCHEMBL7466231

CN(CCc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccc(O)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.50
HTR1A P08908 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MCHR1 Q99705 3/20 0.47
CHRM4 P08173 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 3/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.45

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
Hydrochloric Acid SCHEMBL7474384 0.89 MGLL (0.42) L3MBTL3MCHR1CHRM4ABL1RIN1
SCHEMBL7464676 0.87 CHIA (0.42) L3MBTL3MCHR1CHRM4
SCHEMBL8106205 0.86 ALDH1A1 (0.56) L3MBTL3ALDH1A1MCHR1ABL1RIN1
Hydrochloric Acid SCHEMBL7476858 0.86 L3MBTL3 (0.52) L3MBTL3ABL1RIN1KMT2AMEN1
SCHEMBL7465052 0.86 L3MBTL3 (0.52) L3MBTL3ABL1RIN1KMT2AMEN1
SCHEMBL7472599 0.86 L3MBTL3 (0.52) L3MBTL3ABL1RIN1KMT2AMEN1
Hydrochloric Acid SCHEMBL7474861 0.85 ALDH1A1 (0.55) L3MBTL3ALDH1A1ABL1RIN1KMT2A
Oxalic Acid SCHEMBL7470413 0.84 KMT2A (0.57) L3MBTL3ALDH1A1MCHR1KMT2AMEN1
SCHEMBL7475777 0.84 MCHR1 (0.52) L3MBTL3SMN1; SMN2ALDH1A1MCHR1ABL1
Hydrochloric Acid SCHEMBL7467854 0.84 KDM1A (0.44) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP claimed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN claimed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP claimed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO claimed
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed