SCHEMBL7469960

SCHEMBL7469960

COC1[C]Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.33
GID4 Q8IVV7 1/20 0.33
IDO1 P14902 2/20 0.32
PDPK1 O15530 1/20 0.32
HRH1 P35367 2/20 0.32
CETP P11597 1/20 0.31

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
SCHEMBL10346040 0.81 IDO1 (0.38) HTR2AGID4IDO1PDPK1HRH1
SCHEMBL9199555 0.73 MAPT (0.32) HTR2AGID4IDO1PDPK1HRH1
SCHEMBL4310550 0.73 MAPT (0.32) HTR2AGID4IDO1PDPK1HRH1
SCHEMBL7462280 0.69 PNMT (0.40)
SCHEMBL6763553 0.68 HTR2A (0.37) HTR2AHRH1
SCHEMBL7472084 0.68 HTR2A (0.46) HTR2AIDO1HRH1
SCHEMBL6613669 0.68 HTR2A (0.37) HTR2AHRH1
SCHEMBL4766983 0.64 ALDH1A1 (0.40) GID4
SCHEMBL8776161 0.64 HTR2A (0.33) HTR2AHRH1
SCHEMBL3418110 0.64 SLC6A2 (0.41)

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
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed