SCHEMBL9667133

SCHEMBL9667133

CCCCc1nc(C(F)(F)CCC)nn1Cc1ccc(-n2c(F)cc(F)c2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 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
SCHEMBL9667319 0.97 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9669118 0.90 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8981027 0.88 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9668738 0.88 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8981005 0.87 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8980694 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8981094 0.87 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9668060 0.87 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8980696 0.86 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8981034 0.86 AGTR1 (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175180-A Antagonist, antagonism G. D. SEARLE & CO. (US) 1992-12-29 US disclosed