SCHEMBL9518566

SCHEMBL9518566

CN(C)CCCCCc1nc2ccccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
BCHE P06276 2/20 0.62
ACHE P22303 1/20 0.62
ALDH1A1 P00352 1/20 0.56
DDAH1 O94760 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
NR2F2 P24468 1/20 0.52
PDE10A Q9Y233 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHRM1 P11229 1/20 0.50

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
SCHEMBL9519818 0.98 POLB (0.75) POLBBCHEACHEALDH1A1DDAH1
SCHEMBL9521781 0.94 POLB (0.72) POLBBCHEACHEALDH1A1DDAH1
SCHEMBL9521547 0.87 POLB (0.66) POLBBCHEACHEDDAH1NPC1
SCHEMBL7856311 0.87 POLB (0.96) POLBDDAH1NPC1RAB9ANR2F2
SCHEMBL30701864 0.87 POLB (0.96) POLBDDAH1NPC1RAB9ANR2F2
SCHEMBL7856315 0.87 POLB (0.96) POLBDDAH1NPC1RAB9ANR2F2
SCHEMBL2331252 0.87 POLB (0.96) POLBDDAH1NPC1RAB9ANR2F2
SCHEMBL30701863 0.87 POLB (0.96) POLBDDAH1NPC1RAB9ANR2F2
SCHEMBL7854826 0.87 POLB (0.96) POLBDDAH1NPC1RAB9ANR2F2
SCHEMBL27835271 0.87 POLB (0.96) POLBDDAH1NPC1RAB9ANR2F2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4026815-A ADDING A PHOSPHONOCARBOXYLIC ACID AND A BENZIMIDAZOLE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US claimed
US-4000079-A ANTIFREEZE ADDITIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US claimed
EP-0350467-B1 Pharmacologically active benzimidazole derivatives DOMPE FARMACEUTICI SPA (IT) 1993-12-29 EP disclosed
US-4971980-A ANTIHISTAMINES DOMPE FARMACEUTICI S.P.A. (IT) 1990-11-20 US disclosed
EP-0350467-A1 Pharmacologically active benzimidazole derivatives DOMPE' FARMACEUTICI S.p.A. (IT) 1990-01-10 EP disclosed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP disclosed
US-4026815-A ADDING A PHOSPHONOCARBOXYLIC ACID AND A BENZIMIDAZOLE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed
US-4000079-A ANTIFREEZE ADDITIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed