SCHEMBL3719644

SCHEMBL3719644

COC(=O)c1cc(-c2ccncc2)cc2c1CCN2C(=O)[C@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.38
BUB1 O43683 1/20 0.35
ADORA1 P30542 1/20 0.35
ROCK2 O75116 3/20 0.34
NPY2R P49146 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
USP30 Q70CQ3 2/20 0.34
MAOA P21397 1/20 0.33
TP53 P04637 1/20 0.33
UCHL1 P09936 1/20 0.33
ROCK1 Q13464 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MLYCD O95822 1/20 0.33
WDR5 P61964 1/20 0.33

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
SCHEMBL3719642 1.00 PRKCI (0.38) PRKCIBUB1ADORA1ROCK2NPY2R
SCHEMBL2684313 0.93 PRKCI (0.37) PRKCIBUB1ADORA1ROCK2NPY2R
SCHEMBL2684309 0.93 PRKCI (0.37) PRKCIBUB1ADORA1ROCK2NPY2R
SCHEMBL2685211 0.91 PRKCI (0.39) PRKCIBUB1ADORA1ROCK2NPY2R
SCHEMBL2685213 0.91 PRKCI (0.39) PRKCIBUB1ADORA1ROCK2NPY2R
SCHEMBL5960618 0.87 ADORA1 (0.45) ADORA1
SCHEMBL2684070 0.85 GPR142 (0.40) PRKCIALDH1A1HDAC8
SCHEMBL2684073 0.85 GPR142 (0.40) PRKCIALDH1A1HDAC8
SCHEMBL5960681 0.80 ADORA1 (0.44) ADORA1
SCHEMBL5960682 0.79 ADORA1 (0.45) ADORA1

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-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed