SCHEMBL7469508

SCHEMBL7469508

Oc1ccc2c(c1)[CH]CC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA5A P35218 1/20 0.43
PBRM1 Q86U86 1/20 0.41
DRD2 P14416 7/20 0.38
DRD3 P35462 5/20 0.38
DRD1 P21728 4/20 0.38
DRD5 P21918 3/20 0.38
ESR2 Q92731 2/20 0.38
OPRK1 P41145 1/20 0.37
ESR1 P03372 1/20 0.37
DRD4 P21917 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PRKCI P41743 1/20 0.34

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
SCHEMBL7472008 0.82 DRD2 (0.41) CA2CA5APBRM1DRD2DRD3
SCHEMBL8509475 0.78 PBRM1 (0.38) CA2CA5APBRM1DRD2DRD3
SCHEMBL2281882 0.73 PARP10 (0.36) CYP3A4
SCHEMBL2280630 0.73 HTR2A (0.42)
SCHEMBL7471390 0.73 MAPT (0.37) CA2CA12CA1CA9CYP3A4
SCHEMBL19926123 0.70 MAOA (0.44) CA2CA5APBRM1DRD2DRD3
SCHEMBL23348757 0.68 PBRM1 (0.37) CA2CA5APBRM1DRD2DRD3
SCHEMBL9756716 0.68 DRD2 (0.46) CA2CA5APBRM1DRD2DRD3
SCHEMBL1451074 0.68 CYP3A4 (0.45) CA2CA5ADRD2DRD3DRD1
SCHEMBL25053046 0.68 PBRM1 (0.41) CA2CA5APBRM1DRD2DRD3

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 10 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
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 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
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 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
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed