SCHEMBL7326984

SCHEMBL7326984

CC1CCN(S(=O)(=O)c2cccc3c(Cl)nccc23)C(N)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.46
▸ ROCK2 O75116 5/20 0.38
▸ ROCK1 Q13464 5/20 0.38
▸ PRKCE Q02156 3/20 0.38
▸ PRKCD Q05655 3/20 0.38
▸ PRKD1 Q15139 3/20 0.38
▸ PRKX P51817 1/20 0.38
▸ HTR7 P34969 5/20 0.37
▸ HTR1D P28221 3/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ ALOX15 P16050 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ PRKD3 O94806 2/20 0.36

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
SCHEMBL7327666 0.85 CHRM1 (0.46) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL7360634 0.83 CHRM1 (0.42) CHRM1MEN1KMT2AHTTALDH1A1
SCHEMBL7320742 0.77 CHRM1 (0.42) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL4730348 0.75 CHRM1 (0.53) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL12306789 0.75 PRKCD (0.65) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL4782353 0.73 CHRM1 (0.52) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL7325008 0.73 CHRM1 (0.45) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL2909501 0.73 CHRM1 (0.49) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL7325041 0.73 ROCK2 (0.36) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL2909374 0.72 CHRM1 (0.44) CHRM1ROCK2ROCK1PRKCEPRKCD

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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