SCHEMBL4562002

SCHEMBL4562002

Cc1c(OC(=O)NCC(F)(F)C(F)(F)F)nc(-c2cc(C(F)(F)F)ccc2Cl)n1CC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
CNR2 P34972 10/20 0.39
RORC P51449 1/20 0.38
TSHR P16473 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MDM2 Q00987 1/20 0.36
CRHR1 P34998 2/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL4370602 0.92 HTR2C (0.38) CNR1CNR2TSHRMDM2NPC1
SCHEMBL4373432 0.86 CNR1 (0.41) CNR1CNR2RORCTSHRGRIN1
SCHEMBL4371432 0.80 CNR1 (0.42) CNR1CNR2RORCTSHRGRIN1
SCHEMBL4373426 0.77 CNR1 (0.51) CNR1CNR2RORCGRIN1GRIN2B
SCHEMBL4368758 0.72 CNR1 (0.51) CNR1CNR2RORCTSHRCRHR1
SCHEMBL4380007 0.70 CNR1 (0.60) CNR1CNR2RORCTSHRCRHR1
SCHEMBL4372616 0.70 CNR1 (0.56) CNR1CNR2RORCTSHRNPC1
SCHEMBL4372621 0.70 CNR1 (0.56) CNR1CNR2RORCTSHRNPC1
SCHEMBL4376908 0.70 CNR2 (0.39) CNR2TSHRGRIN1GRIN2BMAPK1
SCHEMBL4382397 0.69 CNR2 (0.42) CNR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed