SCHEMBL31504402

SCHEMBL31504402

CC(C)NC(=O)c1c(C#N)cccc1Nc1ccc(OCc2ccccc2)cc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.41
▸ GPR34 Q9UPC5 1/20 0.41
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ MRGPRX4 Q96LA9 3/20 0.39
▸ ACACB O00763 1/20 0.39
▸ S1PR1 P21453 4/20 0.38
▸ GPR132 Q9UNW8 1/20 0.38
▸ SMPD1 P17405 1/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.38
▸ TAOK3 Q9H2K8 1/20 0.38
▸ GUSB P08236 1/20 0.38

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
SCHEMBL21617288 1.00 PTGES (0.41) PTGESGPR34MAOAMAOBMRGPRX4
SCHEMBL21617212 0.89 PTGES (0.45) PTGESMAOAMAOBMRGPRX4ACACB
SCHEMBL31504440 0.89 PTGES (0.45) PTGESMAOAMAOBMRGPRX4ACACB
SCHEMBL23308016 0.88 CNR2 (0.42) GPR132
SCHEMBL21617266 0.88 PTGES (0.44) PTGESMAOAMAOBACACBS1PR1
SCHEMBL31504425 0.88 PTGES (0.44) PTGESMAOAMAOBACACBS1PR1
SCHEMBL21617219 0.87 PTGES (0.43) PTGESMAOAMAOBACACBS1PR1
SCHEMBL31504380 0.87 PTGES (0.43) PTGESMAOAMAOBACACBS1PR1
SCHEMBL21623514 0.84 MAOA (0.42) PTGESMAOAMAOBMRGPRX4S1PR1
SCHEMBL23308005 0.72 ALDH1A1 (0.45) MAOB

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
CN-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
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