SCHEMBL3346496

SCHEMBL3346496

COc1cccc(CCNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.56
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MC4R P32245 2/20 0.48
DGAT2 Q96PD7 1/20 0.46
RAB9A P51151 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CNR1 P21554 1/20 0.42

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
SCHEMBL3346278 0.87 CNR1 (0.57) KCNH2MC4RCA1CA2MTNR1A
SCHEMBL3348187 0.87 KCNH2 (0.48) KCNH2MC4RRAB9ACA1CA2
SCHEMBL3346356 0.85 KCNH2 (0.57) KCNH2KDM4EMEN1KMT2AMC4R
SCHEMBL3346236 0.85 MC4R (0.65) KCNH2MC4R
SCHEMBL3353235 0.84 ROCK2 (0.49) KCNH2KDM4EMC4RRAB9ACA1
SCHEMBL3347960 0.83 CNR1 (0.52) MEN1KMT2AMC4RRAB9ACA1
SCHEMBL3352433 0.81 CNR1 (0.46) KCNH2MEN1KMT2AMC4RRAB9A
SCHEMBL3346031 0.80 KCNH2 (0.53) KCNH2MC4RDGAT2
SCHEMBL3346490 0.79 KCNH2 (0.65) KCNH2MEN1KMT2ADGAT2
SCHEMBL21994259 0.79 KCNH2 (0.63) KCNH2KDM4EMEN1KMT2ADGAT2

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
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed