SCHEMBL8314407

SCHEMBL8314407

O=C1c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)CN1C1CCCCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.56
PRKCA P17252 7/20 0.46
PRKCQ Q04759 4/20 0.46
PRKCD Q05655 4/20 0.46
PRKD3 O94806 3/20 0.46
PRKCG P05129 3/20 0.46
PRKCB P05771 3/20 0.46
CDK4 P11802 3/20 0.46
PRKACA P17612 3/20 0.46
PRKACG P22612 3/20 0.46
PRKACB P22694 3/20 0.46
CCND1 P24385 3/20 0.46
PRKCH P24723 3/20 0.46
PRKCI P41743 3/20 0.46
PRKCE Q02156 3/20 0.46
PRKCZ Q05513 3/20 0.46
PRKD1 Q15139 3/20 0.46
CAMK2B Q13554 2/20 0.46
CAMK2G Q13555 2/20 0.46
CAMK2D Q13557 2/20 0.46

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
SCHEMBL18635747 0.73 PRKCQ (0.61) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL18635720 0.73 PRKCQ (0.61) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL14525823 0.72 ROCK2 (0.70) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL20048218 0.71 ROCK2 (0.64) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL8314778 0.70 NQO1 (0.66) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL12856299 0.70 PRKCQ (0.61) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL10965798 0.69 NPSR1 (0.48) MEN1MAPTKMT2A
SCHEMBL10017809 0.69 ROCK2 (0.64) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL8318323 0.68 NQO1 (0.59) ROCK2PRKCAPRKCQPRKCDPRKD3
SCHEMBL14708743 0.66 PRKCA (0.52) ROCK2PRKCAPRKCQPRKCDPRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630242-B1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY WELLCOME FOUND (GB) 1999-01-20 EP claimed