SCHEMBL7415098

SCHEMBL7415098

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
KLK1 P06870 1/20 0.32
KLK5 Q9Y337 1/20 0.32
FLT3 P36888 1/20 0.32

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 0.96 F2 (0.39) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL7420260 0.96 F2 (0.39) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL7419831 0.95 F2 (0.38) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL7417541 0.95 F2 (0.39) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL7447260 0.94 F2 (0.41) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL7416279 0.94 F2 (0.38) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL7450699 0.94 F2 (0.38) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL7420225 0.94 F2 (0.38) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL7418783 0.93 F2 (0.46) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL7450016 0.93 ALDH1A1 (0.37) RAB9AALDH1A1NPC1MAPTLMNA

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 2 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 disclosed
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed