SCHEMBL8972200

SCHEMBL8972200

Cc1c(N)cnc2c1nc(C1CCC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.44
AGTR2 P50052 7/20 0.44
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL8972313 0.98 AGTR1 (0.44) AGTR1AGTR2TLR7
SCHEMBL9053246 0.97 AGTR1 (0.47) AGTR1AGTR2TLR7
SCHEMBL8971906 0.86 PDE10A (0.41) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL8972215 0.85 AGTR1 (0.60) AGTR1AGTR2TLR7
SCHEMBL9311939 0.85 TLR7 (0.39) AGTR1AGTR2TLR7
Ammonia Solution, Strong SCHEMBL8972320 0.83 AGTR1 (0.60) AGTR1AGTR2TLR7
SCHEMBL8971527 0.83 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8565215 0.83 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8972563 0.82 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8972044 0.82 AGTR1 (0.65) 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 5 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
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