SCHEMBL7447757

SCHEMBL7447757

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 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
SCHEMBL7446732 0.97 NPC1 (0.33) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7446035 0.94 NPC1 (0.34) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7447916 0.94 RAB9A (0.38) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7452254 0.91 RAB9A (0.38) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7447469 0.90 NPC1 (0.36) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7449208 0.88 NPC1 (0.39) NPC1ALDH1A1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL7451196 0.86 RAB9A (0.38) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7448183 0.84 NPC1 (0.36) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7450337 0.84 NPC1 (0.36) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7451026 0.84 ALDH1A1 (0.36) 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