SCHEMBL9312917

SCHEMBL9312917

CCCCc1nc2c(C)c(N)ccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.49
AGTR2 P50052 4/20 0.49
TLR7 Q9NYK1 1/20 0.46

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
SCHEMBL8972001 0.86 MEN1 (0.52) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL9312909 0.86 PPARG (0.56) AGTR1AGTR2
SCHEMBL9168400 0.83 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL7048370 0.83 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9874104 0.83 TLR7 (0.53) AGTR1AGTR2TLR7
SCHEMBL8393351 0.83 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL9851473 0.82 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8971410 0.82 PPARG (0.59) AGTR1AGTR2
SCHEMBL9874627 0.82 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8081257 0.82 AGTR1 (0.54) 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
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