SCHEMBL3661135

SCHEMBL3661135

NC(=O)C1(C(=O)NC2(c3cc(CNC(=O)C4CC4)ccn3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL3661136 0.87 ERCC1 (0.44) ERCC1ERCC4KDM4EALDH1A1HPGD
SCHEMBL15295435 0.86 L3MBTL1 (0.35) KDM4EALDH1A1MAPTRAB9APOLB
SCHEMBL3659049 0.82 LOXL2 (0.39)
SCHEMBL15998501 0.81 ERCC1 (0.43) ERCC1ERCC4KDM4EALDH1A1HPGD
SCHEMBL15304233 0.78 ERCC1 (0.43) ERCC1ERCC4KDM4EALDH1A1HPGD
SCHEMBL3720378 0.77 ALDH1A1 (0.35) ALDH1A1HDAC6
SCHEMBL3660006 0.75
SCHEMBL15295436 0.73 L3MBTL1 (0.39) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL12310374 0.70 RECQL (0.40) ALDH1A1
SCHEMBL3659908 0.70 CHUK (0.38) ALDH1A1ALOX15POLBSMN1; SMN2

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