SCHEMBL3799326

SCHEMBL3799326

CCCN(CC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCS(O)(O)CC2)C1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.48
MCHR1 Q99705 7/20 0.39
TACR1 P25103 1/20 0.36
CNR1 P21554 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
MLYCD O95822 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
SCHEMBL3799327 0.93 F2R (0.56) F2RMCHR1TACR1CNR1TMEM97
SCHEMBL15135383 0.89 F2R (0.55) F2RTACR1MLYCD
SCHEMBL15135271 0.82 F2R (0.57) F2RTACR1MLYCD
SCHEMBL15135432 0.80 F2R (0.55) F2RTACR1
SCHEMBL9894234 0.78 F2R (0.50) F2RMCHR1CNR1TMEM97
SCHEMBL15135398 0.78 F2R (0.54) F2RMCHR1TACR1
SCHEMBL9894509 0.78 F2R (0.56) F2RMCHR1TACR1CNR1TMEM97
SCHEMBL15135401 0.77 F2R (0.51) F2RMCHR1TACR1
SCHEMBL9894243 0.75 F2R (0.54) F2RMCHR1CNR1TMEM97
SCHEMBL9926852 0.75 F2R (0.63) F2RMCHR1TACR1CNR1TMEM97

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435428-B1 SUBSTITUTED PIPERIDINES BAYER IP GMBH (DE) 2013-07-31 EP disclosed
WO-2010136128-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed