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SCHEMBL7448650

SCHEMBL7448650

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ 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
SCHEMBL7420823 1.00 F2 (0.36) F2F10NPC1ALDH1A1LMNA
SCHEMBL7450337 0.97 NPC1 (0.36) F2F10NPC1ALDH1A1LMNA
SCHEMBL7448183 0.97 NPC1 (0.36) F2F10NPC1ALDH1A1LMNA
SCHEMBL7452478 0.95 F2 (0.36) F2F10NPC1ALDH1A1LMNA
SCHEMBL7446181 0.94 RAB9A (0.37) F2F10NPC1ALDH1A1LMNA
SCHEMBL7449129 0.91 RAB9A (0.40) F2F10NPC1ALDH1A1LMNA
SCHEMBL7419831 0.89 F2 (0.38) F2F10NPC1ALDH1A1LMNA
SCHEMBL7452481 0.88 F2 (0.39) F2F10NPC1ALDH1A1LMNA
SCHEMBL7420260 0.88 F2 (0.39) F2F10NPC1ALDH1A1LMNA
SCHEMBL7449468 0.87 NPC1 (0.37) 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 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