SCHEMBL7473500

SCHEMBL7473500

[CH2]CCc1ccc(NC(=O)NCCCCCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.66
EPHX1 P07099 8/20 0.65
ALDH1A1 P00352 1/20 0.65
HTT P42858 1/20 0.65
GHSR Q92847 6/20 0.61
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
EPHX2 P34913 1/20 0.55
THRA P10827 2/20 0.53
THRB P10828 2/20 0.53

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
SCHEMBL11034317 0.87 EPHX1 (0.84) S1PR1EPHX1ALDH1A1HTTGHSR
SCHEMBL6438783 0.87 EPHX1 (0.84) S1PR1EPHX1ALDH1A1HTTGHSR
SCHEMBL11033138 0.87 EPHX1 (0.84) S1PR1EPHX1ALDH1A1HTTGHSR
SCHEMBL6571730 0.86 S1PR1 (0.65) S1PR1EPHX1ALDH1A1HTTGHSR
SCHEMBL468415 0.85 EPHX1 (0.72) S1PR1EPHX1ALDH1A1HTTGHSR
SCHEMBL17189466 0.85 EPHX1 (0.72) S1PR1EPHX1ALDH1A1HTTGHSR
SCHEMBL17189471 0.85 EPHX1 (0.72) S1PR1EPHX1ALDH1A1HTTGHSR
SCHEMBL15358666 0.85 EPHX1 (0.72) S1PR1EPHX1ALDH1A1HTTGHSR
SCHEMBL822126 0.85 EPHX1 (0.72) S1PR1EPHX1ALDH1A1HTTGHSR
SCHEMBL7160759 0.85 S1PR1 (0.81) S1PR1EPHX1ALDH1A1HTTGHSR

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