SCHEMBL7424090

SCHEMBL7424090

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
TOP2A P11388 1/20 0.33
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
DGAT2 Q96PD7 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL7415292 0.96 NPC1 (0.39) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7420260 0.92 F2 (0.39) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7452481 0.92 F2 (0.39) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7411197 0.91 F2 (0.35) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7419831 0.90 F2 (0.38) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7415098 0.88 RAB9A (0.41) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7417541 0.87 F2 (0.39) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7447260 0.87 F2 (0.41) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7418783 0.87 F2 (0.46) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7450699 0.86 F2 (0.38) NPC1ALDH1A1LMNAMAPTMAPK1

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