SCHEMBL7471745

SCHEMBL7471745

Nc1ccc2c(c1)C[C]C2O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CASP1 P29466 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 1/20 0.31
LCK P06239 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30

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
SCHEMBL7472294 0.78 CHRNB2 (0.35) CHRNB2CHRNA4CASP1LMNAMAPT
SCHEMBL6613669 0.71 HTR2A (0.37)
SCHEMBL6763553 0.71 HTR2A (0.37)
SCHEMBL4333820 0.67 PGR (0.42) CHRNB2CHRNA4CASP1CASP7HSD17B10
SCHEMBL7059446 0.64 PGR (0.45) CASP1CASP7HSD17B10
SCHEMBL17450401 0.64 PGR (0.45) CASP1CASP7HSD17B10
SCHEMBL18814798 0.64 SLC22A12 (0.37) CHRNB2CHRNA4CASP1LMNAMAPT
SCHEMBL18682060 0.64 CYP3A4 (0.47) CHRNB2CHRNA4CASP1LMNAMAPT
SCHEMBL10070929 0.64 CYP3A4 (0.47) CHRNB2CHRNA4CASP1LMNAMAPT
SCHEMBL12548151 0.63 DRD2 (0.41) CHRNB2CHRNA4CASP1LMNAMAPT

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