SCHEMBL9563125

SCHEMBL9563125

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(CC#N)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 2/20 0.57
▸ AGTR2 P50052 2/20 0.57
▸ GPR4 P46093 2/20 0.52

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
SCHEMBL9210636 0.83 AGTR1 (0.59) AGTR1AGTR2GPR4
SCHEMBL7387302 0.81 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL13743046 0.81 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9563137 0.81 AGTR2 (0.57) AGTR1AGTR2GPR4
SCHEMBL21083745 0.80 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL14409680 0.79 — —
SCHEMBL9137989 0.79 GPR4 (0.50) GPR4
SCHEMBL9136697 0.79 GPR4 (0.52) GPR4
SCHEMBL8999099 0.78 — —
SCHEMBL4770906 0.78 AGTR1 (0.51) AGTR1AGTR2

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-0556789-A2 Substituted biphenyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-25 — — EP disclosed
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