SCHEMBL4373432

SCHEMBL4373432

Cc1c(OC(=O)NN2CCCCC2)nc(-c2cc(C(F)(F)F)ccc2Cl)n1CC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.41
CNR2 P34972 11/20 0.40
TSHR P16473 1/20 0.37
RORC P51449 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRB2 P07550 1/20 0.36
MDM2 Q00987 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CRHR1 P34998 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
SCHEMBL4373426 0.88 CNR1 (0.51) CNR1CNR2RORCGRIN1GRIN2B
SCHEMBL4562002 0.86 CNR1 (0.39) CNR1CNR2TSHRRORCGRIN1
SCHEMBL4371328 0.81 GAA (0.42) CNR1CNR2KDM4ENPC1RAB9A
SCHEMBL4371432 0.80 CNR1 (0.42) CNR1CNR2TSHRRORCGRIN1
SCHEMBL4369561 0.79 KCNH2 (0.41) CNR2KDM4E
SCHEMBL4370602 0.78 HTR2C (0.38) CNR1CNR2TSHRMDM2NPC1
SCHEMBL4379578 0.78 ALDH1A1 (0.44) CNR2TSHRKDM4E
SCHEMBL3922441 0.77 CNR1 (0.55) CNR1CNR2CRHR1
SCHEMBL4429813 0.75 CNR1 (0.59) CNR1CNR2CRHR1
SCHEMBL4368758 0.73 CNR1 (0.51) CNR1CNR2TSHRRORCKDM4E

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