SCHEMBL7473682

SCHEMBL7473682

CCCCCCc1ccsc1[C]=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
GPR35 Q9HC97 2/20 0.38
TSHR P16473 3/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
TYR P14679 2/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
G6PD P11413 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL7468489 0.93 CTRC (0.35) LIPGCYSLTR2CYSLTR1GPR35TSHR
SCHEMBL9868176 0.85 PLA2G1B (0.31) KMT2A
SCHEMBL28372081 0.83 LIPG (0.39) LIPGCYSLTR2CYSLTR1GPR35TSHR
SCHEMBL28372084 0.83 LIPG (0.39) LIPGCYSLTR2CYSLTR1GPR35TSHR
SCHEMBL28367976 0.83 LIPG (0.39) LIPGCYSLTR2CYSLTR1GPR35TSHR
SCHEMBL978866 0.83 TSHR (0.42) LIPGCYSLTR2CYSLTR1GPR35TSHR
SCHEMBL28367934 0.83 LIPG (0.39) LIPGCYSLTR2CYSLTR1GPR35TSHR
SCHEMBL4471052 0.83 LIPG (0.39) LIPGCYSLTR2CYSLTR1GPR35TSHR
SCHEMBL819674 0.83 TSHR (0.42) LIPGCYSLTR2CYSLTR1GPR35TSHR
SCHEMBL5948584 0.83 TSHR (0.42) LIPGCYSLTR2CYSLTR1GPR35TSHR

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