SCHEMBL9563137

SCHEMBL9563137

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(Cc2nnn[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 3/20 0.57
▸ AGTR1 P30556 2/20 0.57
▸ GPR4 P46093 2/20 0.53

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
SCHEMBL8741166 0.86 AGTR2 (0.61) AGTR2AGTR1GPR4
SCHEMBL9139089 0.82 GPR4 (0.51) AGTR2AGTR1GPR4
SCHEMBL9137156 0.82 GPR4 (0.53) AGTR2AGTR1GPR4
SCHEMBL9563125 0.81 AGTR1 (0.57) AGTR2AGTR1GPR4
SCHEMBL8999434 0.80 — —
SCHEMBL29486808 0.80 AGTR1 (0.74) AGTR2AGTR1GPR4
L-158809 SCHEMBL683357 0.80 AGTR2 (0.71) AGTR2AGTR1GPR4
L-158809 SCHEMBL7944169 0.79 AGTR2 (0.70) AGTR2AGTR1GPR4
SCHEMBL9210636 0.79 AGTR1 (0.59) AGTR2AGTR1GPR4
SCHEMBL9847826 0.79 AGTR1 (0.62) AGTR2AGTR1GPR4

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