SCHEMBL7472343

SCHEMBL7472343

[CH2]CCCc1cccc(SCCCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.42
LIPG Q9Y5X9 3/20 0.42
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2C P28335 1/20 0.34
HTR6 P50406 1/20 0.34
DRD2 P14416 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
AR P10275 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
SCHEMBL3031696 0.94 LPL (0.46) LPLLIPGPPARGPPARA
SCHEMBL5268518 0.84 PTGS2 (0.39) MAOAMAOB
SCHEMBL7330248 0.84 HTR2C (0.38) LPLLIPGMAOAHTR2CHTR6
SCHEMBL5272240 0.83 PTGS2 (0.41) MAOAMAOB
SCHEMBL5268827 0.83 PTGS2 (0.41) MAOAMAOB
SCHEMBL5268722 0.83 PTGS2 (0.41) MAOAMAOB
SCHEMBL5267770 0.83 PTGS2 (0.41) MAOAMAOB
SCHEMBL5346419 0.83 PTGS2 (0.41) MAOAMAOB
SCHEMBL5268123 0.83 PTGS2 (0.41) MAOAMAOB
SCHEMBL5270727 0.83 PTGS2 (0.41) MAOAMAOB

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