SCHEMBL4367963

SCHEMBL4367963

Cc1c(OC(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2F)n1CC1COC(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.47
CNR2 P34972 7/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM1 P11229 2/20 0.33
HCRTR2 O43614 1/20 0.32
KCNH2 Q12809 1/20 0.32
NLRP3 Q96P20 1/20 0.32
CHRM3 P20309 1/20 0.32
MAPK14 Q16539 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CRHR1 P34998 1/20 0.31

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
SCHEMBL4371549 0.92 CNR1 (0.57) CNR1CNR2HCRTR2TRPV1CRHR1
SCHEMBL4372987 0.91 CNR1 (0.39) CNR1CNR2TSHRKDM4EALDH1A1
SCHEMBL4370563 0.88 CNR1 (0.49) CNR1CNR2TSHR
SCHEMBL4367945 0.88 CNR1 (0.49) CNR1CNR2TSHR
SCHEMBL4369770 0.83 CNR1 (0.48) CNR1CRHR1
SCHEMBL4420518 0.80 CNR1 (0.63) CNR1CNR2TSHRCHRM1KCNH2
SCHEMBL4380229 0.80 CNR1 (0.49) CNR1CNR2TSHRKDM4EALDH1A1
SCHEMBL4371410 0.80 CNR1 (0.48) CNR1CNR2TSHRCHRM1KCNH2
SCHEMBL4423581 0.80 CNR1 (0.46) CNR1
SCHEMBL4380007 0.79 CNR1 (0.60) CNR1CNR2TSHRKDM4ETRPV1

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