SCHEMBL8972068

SCHEMBL8972068

CCc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.60
AGTR2 P50052 9/20 0.60
GPR4 P46093 1/20 0.46
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL8972057 0.92 AGTR1 (0.71) AGTR1AGTR2LMNA
SCHEMBL29486817 0.91 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL7622112 0.91 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL9312828 0.90 AGTR1 (0.68) AGTR1AGTR2
Hydrochloric Acid SCHEMBL7841670 0.90 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL9851478 0.88 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8876431 0.88 AGTR1 (0.53) AGTR1AGTR2GPR4LMNATP53
SCHEMBL9854370 0.86 AGTR1 (0.51) AGTR1AGTR2LMNATP53
SCHEMBL9851500 0.85 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9854484 0.85 AGTR1 (0.49) AGTR1AGTR2LMNATP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP claimed
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-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed