SCHEMBL3346695

SCHEMBL3346695

COc1cccc(CCNC(=O)[C@@H]2CNC[C@H]2c2ccc(Cl)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.50
SLC6A4 P31645 2/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HTT P42858 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
GLA P06280 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.42
MC4R P32245 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
SCHEMBL3350808 0.89 TAAR1 (0.53) CNR1HTTGLATAAR1ALDH1A1
SCHEMBL3346278 0.86 CNR1 (0.57) CNR1SLC6A4HTR2CHTR2BCA1
SCHEMBL3349714 0.85 MC4R (0.57) CNR1GLATAAR1ALDH1A1MAPT
SCHEMBL3347960 0.84 CNR1 (0.52) CNR1CA1CA2HTTROCK2
SCHEMBL3352433 0.84 CNR1 (0.46) CNR1CA1CA2ROCK2ROCK1
SCHEMBL3350852 0.82 MC4R (0.37) ROCK2MAPTMC4R
SCHEMBL3353235 0.80 ROCK2 (0.49) CNR1CA1CA2ROCK2ALDH1A1
SCHEMBL3350733 0.80 CNR1 (0.48) CNR1CA1CA2HTTGLA
SCHEMBL3346689 0.80 POLB (0.50) HTTROCK2ROCK1
SCHEMBL3350885 0.80 TAAR1 (0.47) CNR1TAAR1ALDH1A1MAPTMC4R

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 claimed