SCHEMBL8971480

SCHEMBL8971480

CCCCOc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.53
AGTR2 P50052 7/20 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
SCHEMBL8971897 0.96 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8566359 0.92 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9847856 0.92 AGTR2 (0.47) AGTR1AGTR2
SCHEMBL8561748 0.89 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8161625 0.88 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9847869 0.87 AGTR2 (0.47) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL8971992 0.87 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL8971607 0.87 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL8972783 0.86 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8565683 0.86 AGTR2 (0.72) 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 4 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