SCHEMBL7420260

SCHEMBL7420260

CCCOC(=O)CN[C@@](C)(C(=O)N1CCCC1)c1ccc2[nH]c(CNc3ccc(C(=N)NC(=O)c4ccccc4)cc3)nc2c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
KLK1 P06870 1/20 0.31
KLK5 Q9Y337 1/20 0.31

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
SCHEMBL7452481 1.00 F2 (0.39) F2F10NPC1ALDH1A1LMNA
SCHEMBL7419831 0.96 F2 (0.38) F2F10NPC1ALDH1A1LMNA
SCHEMBL7415098 0.96 RAB9A (0.41) F2F10NPC1ALDH1A1LMNA
SCHEMBL7417541 0.95 F2 (0.39) F2F10NPC1ALDH1A1LMNA
SCHEMBL7450699 0.94 F2 (0.38) F2F10NPC1ALDH1A1LMNA
SCHEMBL7447260 0.93 F2 (0.41) F2F10NPC1ALDH1A1LMNA
SCHEMBL7422308 0.93 F2 (0.38) F2F10NPC1ALDH1A1LMNA
SCHEMBL7424090 0.92 NPC1 (0.37) F2F10NPC1ALDH1A1LMNA
SCHEMBL7420225 0.92 F2 (0.38) F2F10NPC1ALDH1A1LMNA
SCHEMBL7418783 0.92 F2 (0.46) F2F10NPC1ALDH1A1LMNA

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-1244636-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC Boehringer Ingelheim Pharma KG (DE) 2002-10-02 EP claimed
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO claimed
EP-1244636-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC Boehringer Ingelheim Pharma KG (DE) 2002-10-02 EP disclosed
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed