SCHEMBL7450337

SCHEMBL7450337

CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3c(C)c(C(C)(NCC(=O)OCC)C(=O)N4CCCC4)ccc3[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
TSHR P16473 1/20 0.31
CNR1 P21554 1/20 0.30
PLA2G2A P14555 2/20 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
SCHEMBL7448183 1.00 NPC1 (0.36) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7446181 0.97 RAB9A (0.37) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7420823 0.97 F2 (0.36) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7448650 0.97 F2 (0.36) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7452478 0.96 F2 (0.36) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7449129 0.94 RAB9A (0.40) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7448580 0.90 NPC1 (0.37) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7449468 0.90 NPC1 (0.37) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7447557 0.89 ALDH1A1 (0.39) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7453448 0.88 RAB9A (0.41) 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-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed