SCHEMBL8972204

SCHEMBL8972204

CCCc1nc2cccnc2n1Cc1ccc(-c2cc(Cl)ccc2-c2nnn[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.59
AGTR2 P50052 4/20 0.59
ENPP2 Q13822 1/20 0.42
TBXA2R P21731 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL8972687 0.97 AGTR1 (0.61) AGTR1AGTR2ENPP2TBXA2RMAPT
SCHEMBL8972164 0.95 AGTR1 (0.60) AGTR1AGTR2ENPP2
SCHEMBL8972529 0.92 AGTR1 (0.62) AGTR1AGTR2ENPP2
SCHEMBL8972057 0.90 AGTR1 (0.71) AGTR1AGTR2LMNAPPARG
SCHEMBL9847832 0.86 AGTR1 (0.60) AGTR1AGTR2ENPP2LMNATP53
SCHEMBL8972174 0.85 AGTR2 (0.58) AGTR1AGTR2
SCHEMBL7622112 0.85 AGTR1 (0.72) AGTR1AGTR2ENPP2
SCHEMBL29486817 0.85 AGTR1 (0.72) AGTR1AGTR2ENPP2
SCHEMBL8971815 0.84 AGTR1 (0.57) AGTR1AGTR2ENPP2MAPTLMNA
Hydrochloric Acid SCHEMBL7841670 0.84 AGTR1 (0.71) 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 5 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
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