SCHEMBL9535712

SCHEMBL9535712

COc1ccc(CCN2CCC(Nc3nc4cccnc4[nH]3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.75
GAA P10253 2/20 0.53
EED O75530 2/20 0.53
HRH3 Q9Y5N1 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
MEN1 O00255 1/20 0.53
MLNR O43193 1/20 0.53
CACNA1F O60840 1/20 0.53
USP2 O75604 1/20 0.53
ABCB11 O95342 1/20 0.53
EGFR P00533 1/20 0.53
LMNA P02545 1/20 0.53
HLA-A P04439 1/20 0.53
ERBB2 P04626 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53

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
SCHEMBL9538063 0.86 KCNH2 (1.00) KCNH2GAAEEDHRH3SIGMAR1
SCHEMBL9774798 0.82 SSTR5 (0.64) KCNH2GAAEEDHRH3SIGMAR1
SCHEMBL9689872 0.81 KCNH2 (0.90) KCNH2GAAEEDHRH3SIGMAR1
Hydrochloric Acid SCHEMBL9535454 0.80 KCNH2 (0.51) KCNH2HRH3ABCB1HTR2AHRH1
SCHEMBL9534992 0.78 CDC7 (0.54) KCNH2HRH3HRH4
SCHEMBL8135558 0.77 KCNH2 (0.45) KCNH2HRH3DRD2DRD3
Hydrochloric Acid SCHEMBL9535340 0.77 CDC7 (0.53) KCNH2HRH3HRH4
SCHEMBL9536746 0.75 KCNH2 (0.46) KCNH2LMNAMAPTDRD2SSTR5
SCHEMBL9779515 0.75 SSTR5 (0.66) KCNH2GAAEEDHRH3SIGMAR1
SCHEMBL20715315 0.75 KCNH2 (0.87) KCNH2GAAEEDHRH3SIGMAR1

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 4 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 claimed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP claimed
EP-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed