SCHEMBL9681405

SCHEMBL9681405

CN1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.71
KCNH2 Q12809 6/20 0.61
NR4A2 P43354 2/20 0.60
EED O75530 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 2/20 0.59
MEN1 O00255 1/20 0.59
MLNR O43193 1/20 0.59
CACNA1F O60840 1/20 0.59
USP2 O75604 1/20 0.59
ABCB11 O95342 1/20 0.59
EGFR P00533 1/20 0.59
HLA-A P04439 1/20 0.59
ERBB2 P04626 1/20 0.59
TP53 P04637 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
CHRM2 P08172 1/20 0.59

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
Hydrochloric Acid SCHEMBL11271737 0.98 SSTR5 (0.68) SSTR5KCNH2NR4A2EEDCYP1A2
SCHEMBL9682069 0.93 SSTR5 (0.65) SSTR5KCNH2NR4A2EEDCYP1A2
SCHEMBL10529762 0.91 SSTR5 (0.78) SSTR5KCNH2NR4A2EEDCYP1A2
SCHEMBL9629504 0.88 SSTR5 (0.59) SSTR5KCNH2NR4A2EEDCYP1A2
SCHEMBL11381151 0.87 SSTR5 (0.88) SSTR5KCNH2NR4A2EEDCYP1A2
SCHEMBL14098264 0.86 KCNH2 (0.53) SSTR5KCNH2NR4A2EEDCYP1A2
SCHEMBL9631290 0.84 SSTR5 (0.72) SSTR5KCNH2NR4A2EEDCYP1A2
SCHEMBL11265895 0.84 KCNH2 (0.83) SSTR5KCNH2NR4A2EEDCYP1A2
SCHEMBL11473098 0.84 SSTR5 (0.52) SSTR5KCNH2EEDCYP1A2CYP2C19
SCHEMBL11279705 0.84 SSTR5 (0.66) SSTR5KCNH2NR4A2EEDCYP1A2

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
US-5106857-A N-(1-methyl-3-pyrrolidinyl)-1-(phenylmethyl)-1H-benzimidazol-2-amine and analogs as antiarrhythmic and muscle relaxing agents A. H. ROBINS COMPANY, INCORPORATED (US) 1992-04-21 US claimed
US-5106857-A N-(1-methyl-3-pyrrolidinyl)-1-(phenylmethyl)-1H-benzimidazol-2-amine and analogs as antiarrhythmic and muscle relaxing agents A. H. ROBINS COMPANY, INCORPORATED (US) 1992-04-21 US disclosed