SCHEMBL3799327

SCHEMBL3799327

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.56
CNR1 P21554 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
TACR1 P25103 1/20 0.36
MCHR1 Q99705 3/20 0.35
SLC6A4 P31645 1/20 0.35
PROKR1 Q8TCW9 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
SCHEMBL3799326 0.93 F2R (0.48) F2RCNR1TMEM97TACR1MCHR1
SCHEMBL15135383 0.89 F2R (0.55) F2RTACR1
SCHEMBL9926852 0.83 F2R (0.63) F2RCNR1TMEM97TACR1MCHR1
SCHEMBL15135271 0.82 F2R (0.57) F2RTACR1
SCHEMBL15135432 0.80 F2R (0.55) F2RTACR1
SCHEMBL9894235 0.78 F2R (0.59) F2RCNR1TMEM97SLC6A4PROKR1
SCHEMBL15135398 0.78 F2R (0.54) F2RTACR1MCHR1
SCHEMBL3800390 0.78 F2R (0.67) F2RCNR1TMEM97TACR1PROKR1
SCHEMBL15135401 0.75 F2R (0.51) F2RTACR1MCHR1
SCHEMBL3800392 0.75 F2R (0.64) F2RCNR1TMEM97TACR1PROKR1

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