SCHEMBL8972305

SCHEMBL8972305

Cc1ccnc2c1[nH]c(=O)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.43
AGTR2 P50052 3/20 0.43
TLR7 Q9NYK1 1/20 0.39
USP1 O94782 2/20 0.39
PNP P00491 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL9701272 0.80 AGTR1 (0.44) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL9847776 0.80 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9702808 0.79 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8972949 0.78 AGTR2 (0.59) AGTR1AGTR2
SCHEMBL8561748 0.78 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8567083 0.78 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL8972186 0.78 AGTR2 (0.59) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL9311960 0.78 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9702671 0.78 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9847779 0.77 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506238-A HYPOTENSIVE AGENT EISAI CO., LTD. (JP) 1996-04-09 US disclosed
EP-0628557-A1 Biphenylmethane derivatives, the use of them and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-12-14 EP disclosed
US-5328911-A Cardiovascular disorders, hypotensive agents and congestive heart failure EISAI CO., LTD. (JP) 1994-07-12 US disclosed
EP-0598702-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-05-25 EP disclosed
US-5298518-A Biphenylmethane derivative and pharmacological use EISAI CO., LTD. (JP) 1994-03-29 US disclosed
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed