SCHEMBL7076934

SCHEMBL7076934

Cc1nc(-c2cccc(C(=O)N3CCNCC3)c2)no1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
RHOA P61586 1/20 0.53
BRD4 O60885 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
GRM5 P41594 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
MGLL Q99685 2/20 0.46
ATR Q13535 1/20 0.46
MTOR P42345 1/20 0.46
TLR9 Q9NR96 2/20 0.46
TLR8 Q9NR97 2/20 0.46

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
SCHEMBL13838156 0.82 SLC6A7 (0.66) LMNA
SCHEMBL13838148 0.80 RHOA (0.49) L3MBTL1RHOAMGLLLMNA
SCHEMBL13838158 0.80 SLC6A7 (0.55) RHOAMGLLLMNA
SCHEMBL13838143 0.80 RHOA (0.51) L3MBTL1RHOAGRM5MGLLLMNA
SCHEMBL13838111 0.80 GRM5 (0.49) L3MBTL1RHOAGRM5MGLLLMNA
SCHEMBL13838152 0.79 SMN1; SMN2 (0.64) L3MBTL1LMNA
SCHEMBL13838146 0.79 ALDH1A1 (0.59) L3MBTL1MGLLLMNA
SCHEMBL13838161 0.79 RHOA (0.47) L3MBTL1RHOAGRM5MGLLLMNA
SCHEMBL13838154 0.79 ALDH1A1 (0.53) L3MBTL1RHOAMGLLLMNA
SCHEMBL13838798 0.78 MGLL (0.63) MGLL

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-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed