SCHEMBL7471827

SCHEMBL7471827

CCCCCSc1cccnc1[C]=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.43
GPR84 Q9NQS5 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
EPHX2 P34913 1/20 0.36
PDE5A O76074 1/20 0.36
SOAT1 P35610 9/20 0.35
TLR8 Q9NR97 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL7467210 0.82 HSD17B10 (0.38) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL4822817 0.78 GPR84 (0.45) PTGS2GPR84CYSLTR2CYSLTR1EPHX2
SCHEMBL8600733 0.74 PTGS2 (0.42) PTGS2GPR84CYSLTR2CYSLTR1EPHX2
SCHEMBL946861 0.73 L3MBTL1 (0.46) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL6507690 0.73 TDP1 (0.41) PTGS2
SCHEMBL27540870 0.72 PTGS2 (0.44) PTGS2GPR84PDE5ATLR8KDM4E
SCHEMBL6510973 0.71 CYP3A4 (0.40) TLR8ALDH1A1HPGDCYP2C9
SCHEMBL7021136 0.71 NR1H2 (0.43) CYSLTR2CYSLTR1TLR8
SCHEMBL9509503 0.70 PTGS2 (0.57) PTGS2CYSLTR2CYSLTR1EPHX2SOAT1
SCHEMBL199655 0.70 PTGS2 (0.55) PTGS2GPR84CYSLTR2CYSLTR1EPHX2

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