SCHEMBL9580536

SCHEMBL9580536

CCC1=C(c2c(C)cc(C)cc2C)C(=O)N(C)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 8/20 0.33
▸ HTR2A P28223 3/20 0.31
▸ HTR2C P28335 3/20 0.31
▸ HTR2B P41595 3/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ HRH3 Q9Y5N1 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
SCHEMBL24649692 0.70 HTR2A (0.43) CRHR1HTR2AHTR2CHTR2BAPAF1
SCHEMBL9372384 0.67 ELANE (0.34) —
SCHEMBL9430112 0.62 CRHR1 (0.32) CRHR1
SCHEMBL4246772 0.62 POLB (0.34) CRHR1APAF1
SCHEMBL13139310 0.61 HTR2A (0.44) HTR2AHTR2CHTR2B
SCHEMBL25453060 0.61 PARP1 (0.37) HTR2AHTR2CHTR2B
SCHEMBL29209082 0.61 BRD4 (0.42) HTR2AHTR2CHTR2B
SCHEMBL18560063 0.60 KMT2A (0.40) CRHR1
SCHEMBL25453054 0.58 PARP1 (0.37) HTR2AHTR2CHTR2B
SCHEMBL25453058 0.58 PARP1 (0.37) HTR2AHTR2CHTR2B

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
JP-5262727-A — — None — — JP disclosed
JP-H05262727-A 4-(SUBSTITUTED)AMINO-3-ARYLPYRROLINONE DERIVATIVE BAYER AG 1993-10-12 — — JP disclosed
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