SCHEMBL3660008

SCHEMBL3660008

NC1(C(=O)NC2(c3cc(I)ccn3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL3660006 0.84
SCHEMBL3659050 0.81 LOXL2 (0.40)
SCHEMBL3659156 0.80 VNN1 (0.40)
Hydrochloric Acid SCHEMBL15295437 0.80 LOXL2 (0.40)
SCHEMBL3659910 0.80 CHUK (0.37) ALDH1A1LMNA
SCHEMBL10277614 0.79 EPHX2 (0.31)
SCHEMBL15295436 0.76 L3MBTL1 (0.39) ALDH1A1
SCHEMBL3720382 0.75 ICAM1 (0.38)
SCHEMBL2390947 0.75 ICAM1 (0.38) ALDH1A1
SCHEMBL3661136 0.74 ERCC1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445914-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
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
EP-2445909-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2013-11-13 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
US-8481750-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-α]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-09 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