SCHEMBL9847792

SCHEMBL9847792

CCSc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.44
AGTR2 P50052 4/20 0.44
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8560040 0.91 AGTR1 (0.52) AGTR1AGTR2KDM4E
Ammonia Solution, Strong SCHEMBL8563437 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9847777 0.87 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9847846 0.85 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9847782 0.85 AGTR2 (0.61) AGTR1AGTR2
SCHEMBL9847884 0.85 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL9847838 0.84 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7050680 0.84 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9847869 0.84 AGTR2 (0.47) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL9847783 0.84 AGTR1 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP claimed
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed