SCHEMBL8972164

SCHEMBL8972164

CCCCc1nc2cccnc2n1Cc1ccc(-c2cc(Cl)ccc2-c2nnn[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.60
AGTR2 P50052 5/20 0.60
ENPP2 Q13822 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL8972529 0.97 AGTR1 (0.62) AGTR1AGTR2ENPP2
SCHEMBL8972204 0.95 AGTR1 (0.59) AGTR1AGTR2ENPP2
SCHEMBL8972687 0.92 AGTR1 (0.61) AGTR1AGTR2ENPP2
SCHEMBL7622112 0.91 AGTR1 (0.72) AGTR1AGTR2ENPP2
SCHEMBL29486817 0.91 AGTR1 (0.72) AGTR1AGTR2ENPP2
Hydrochloric Acid SCHEMBL7841670 0.90 AGTR1 (0.71) AGTR1AGTR2ENPP2
SCHEMBL8971815 0.90 AGTR1 (0.57) AGTR1AGTR2ENPP2ALDH1A1
SCHEMBL9312828 0.88 AGTR1 (0.68) AGTR1AGTR2ENPP2
SCHEMBL8560307 0.87 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9851416 0.86 AGTR1 (0.61) AGTR1AGTR2ENPP2

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 6 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
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