SCHEMBL7476477

SCHEMBL7476477

CC(=O)Nc1ccc2c(c1)[CH]CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ADRA2A P08913 1/20 0.50
MAOA P21397 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR2B P41595 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
BAZ2B Q9UIF8 1/20 0.49
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL27375522 0.88 NPC1 (0.53) CYP1A2NPC1RAB9AADRA2AMAOA
SCHEMBL171746 0.85 CYP1A2 (0.47) CYP1A2NPC1RAB9AADRA2AMAOA
SCHEMBL1065921 0.77 NPC1 (0.51) CYP1A2NPC1RAB9AADRA2AMAOA
SCHEMBL5582531 0.76 NPC1 (0.50) CYP1A2NPC1RAB9AADRA2AMAOA
SCHEMBL1673429 0.75 BAZ2B (0.69) NPC1RAB9ABAZ2BALDH1A1MAPT
SCHEMBL2245582 0.75 BAZ2B (0.64) CYP1A2NPC1RAB9AADRA2AMAOA
SCHEMBL2244056 0.74 BAZ2B (0.67) CYP1A2NPC1RAB9AADRA2AMAOA
SCHEMBL2249683 0.73 CYP1A2 (0.69) CYP1A2NPC1RAB9AADRA2AMAOA
SCHEMBL2962505 0.73 MAOA (0.84) CYP1A2NPC1RAB9AADRA2AMAOA
SCHEMBL4591071 0.71 NPC1 (0.53) CYP1A2NPC1RAB9AADRA2AMAOA

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 7 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 disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
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 disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 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