SCHEMBL7320736

SCHEMBL7320736

CCC1CCC[N+](N)(S(=O)(=O)c2cccc3c(Cl)nccc23)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.36
▸ ROCK2 O75116 1/20 0.30
▸ PRKX P51817 1/20 0.30
▸ PRKCE Q02156 1/20 0.30
▸ PRKCD Q05655 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ PRKD1 Q15139 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
SCHEMBL7327654 0.82 CHRM1 (0.39) CHRM1ROCK2PRKXPRKCEPRKCD
SCHEMBL7326975 0.79 CHRM1 (0.40) CHRM1ROCK2PRKXPRKCEPRKCD
SCHEMBL7360629 0.76 CHRM1 (0.38) CHRM1
SCHEMBL7328987 0.75 COMT (0.35) —
SCHEMBL7320742 0.70 CHRM1 (0.42) CHRM1ROCK2PRKXPRKCEPRKCD
SCHEMBL7324785 0.69 ROCK2 (0.30) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL7327000 0.69 CDK2 (0.31) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL7325026 0.69 MAPT (0.33) ROCK2ROCK1
SCHEMBL7326979 0.68 CHRM1 (0.43) CHRM1ROCK2PRKXPRKCEPRKCD
SCHEMBL7327070 0.67 ROCK2 (0.49) ROCK2PRKCEPRKCDROCK1PRKD1

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-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 — — EP disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 — — EP disclosed
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