SCHEMBL7501302

SCHEMBL7501302

COc1cc(C(=O)N2CC(CCCO[Si](C)(C)C(C)(C)C)OC2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
FKBP1A P62942 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL7493261 0.95 TACR2 (0.40) TACR2TACR1FKBP1ALMNA
SCHEMBL7501296 0.90 TACR2 (0.38) TACR2TACR1FKBP1ALMNA
SCHEMBL7493250 0.89 TACR2 (0.39) TACR2TACR1FKBP1ALMNA
SCHEMBL27478684 0.87 TACR2 (0.42) TACR2TACR1LMNA
SCHEMBL27478683 0.87 TACR2 (0.42) TACR2TACR1LMNA
SCHEMBL7496041 0.87 TACR2 (0.43) TACR2TACR1LMNA
SCHEMBL27462563 0.85 TACR2 (0.43) TACR2TACR1LMNA
SCHEMBL27462564 0.85 TACR2 (0.43) TACR2TACR1LMNA
SCHEMBL7496029 0.83 TACR2 (0.43) TACR2TACR1LMNA
SCHEMBL7495039 0.83 TACR2 (0.44) TACR2TACR1LMNA

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
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US disclosed
EP-0776893-B1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO CO (JP) 2002-02-27 EP disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
CN-1157286-A N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide SANKYO CO (JP) 1997-08-20 CN disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 EP disclosed