SCHEMBL8972783

SCHEMBL8972783

Cc1ccnc2c1nc(OCC1CC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.48
AGTR2 P50052 7/20 0.48
PPARG P37231 1/20 0.35
USP1 O94782 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
SCHEMBL8566359 0.89 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL8561748 0.88 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8971897 0.87 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8971480 0.86 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8971607 0.85 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL8972044 0.85 AGTR1 (0.65) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL9053252 0.84 AGTR1 (0.64) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL9847776 0.84 AGTR1 (0.54) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL8972215 0.83 AGTR1 (0.60) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL8972320 0.83 AGTR1 (0.60) 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 3 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