SCHEMBL9538786

SCHEMBL9538786

CCOCCN1CCC(Nc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.65
HRH1 P35367 6/20 0.49
TSHR P16473 1/20 0.46
LTA4H P09960 3/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 1/20 0.43
CHRNA7 P36544 1/20 0.42

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
SCHEMBL7416758 0.85 KCNH2 (0.65) KCNH2TSHRACHE
SCHEMBL9698375 0.82 KCNH2 (0.66) KCNH2TSHRCHRNA7
Water SCHEMBL8566156 0.81 KCNH2 (0.61) KCNH2
SCHEMBL8560605 0.81 KCNH2 (0.61) KCNH2
Water SCHEMBL8562628 0.81 KCNH2 (0.61) KCNH2
SCHEMBL11266594 0.81 KCNH2 (0.80) KCNH2TSHRCHRNA7
Hydrochloric Acid SCHEMBL8564807 0.80 KCNH2 (0.60) KCNH2
SCHEMBL9538063 0.79 KCNH2 (1.00) KCNH2HRH1
SCHEMBL9697190 0.78 KCNH2 (0.66) KCNH2TSHR
SCHEMBL3748349 0.78 KCNH2 (0.63) KCNH2ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed