SCHEMBL7472016

SCHEMBL7472016

Oc1ccc2c(c1)CC[C]2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.39
DRD4 P21917 3/20 0.39
TYR P14679 1/20 0.38
DRD3 P35462 5/20 0.37
DRD1 P21728 4/20 0.37
DRD5 P21918 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PRKCI P41743 1/20 0.37
OPRK1 P41145 1/20 0.36
PBRM1 Q86U86 1/20 0.35
HSD17B10 Q99714 1/20 0.34
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
RAD51 Q06609 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33

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
SCHEMBL3106114 0.88 MAOA (0.43) DRD2DRD4TYRDRD3DRD1
SCHEMBL7469514 0.83 PBRM1 (0.39) DRD2DRD4TYRDRD3DRD1
SCHEMBL7476810 0.74 CASP1 (0.39) HSD17B10GAA
SCHEMBL2448199 0.74 PNMT (0.38)
SCHEMBL2563472 0.72 MAOB (0.53) MAOAMAOBPRKCIPBRM1HSP90AA1
SCHEMBL1451512 0.71 MAOA (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL2564100 0.69 PBRM1 (0.44) DRD2DRD4DRD3DRD1DRD5
SCHEMBL5844898 0.69 DRD2 (0.48) DRD2DRD4TYRDRD3DRD1
SCHEMBL3117291 0.69 BCL2 (0.46) DRD2DRD4DRD3DRD1DRD5
SCHEMBL2561343 0.68 PBRM1 (0.56) MAOAMAOBPRKCIPBRM1ESR1

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-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
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