SCHEMBL3659050

SCHEMBL3659050

NCc1ccnc(C2(NC(=O)C3(N)CC3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 19/20 0.40
LOX P28300 8/20 0.36
LOXL3 P58215 1/20 0.36
ROCK1 Q13464 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
Hydrochloric Acid SCHEMBL15295437 0.99 LOXL2 (0.40) LOXL2LOXLOXL3ROCK1
SCHEMBL3659049 0.85 LOXL2 (0.39) LOXL2LOXLOXL3
SCHEMBL15295436 0.84 L3MBTL1 (0.39)
SCHEMBL2390947 0.83 ICAM1 (0.38)
SCHEMBL3720382 0.83 ICAM1 (0.38)
SCHEMBL3661136 0.81 ERCC1 (0.44)
SCHEMBL3660008 0.81 ALDH1A1 (0.31)
SCHEMBL2390159 0.81 AOC3 (0.41)
SCHEMBL3659156 0.78 VNN1 (0.40)
SCHEMBL12310202 0.76 LOXL2 (0.44) LOXL2LOXLOXL3ROCK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed