SCHEMBL8972796

SCHEMBL8972796

CCCCc1nc2cccnc2n1Cc1ccc(-c2ccc(OC)cc2-c2nnn[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.59
AGTR2 P50052 2/20 0.59
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL8971815 0.97 AGTR1 (0.57) AGTR1AGTR2ALDH1A1MEN1KMT2A
SCHEMBL8972529 0.90 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL7622112 0.88 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL29486817 0.88 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL9851416 0.88 AGTR1 (0.61) AGTR1AGTR2LMNA
Hydrochloric Acid SCHEMBL7841670 0.88 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL8972164 0.86 AGTR1 (0.60) AGTR1AGTR2ALDH1A1
SCHEMBL9312828 0.86 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL8971991 0.85 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8972687 0.84 AGTR1 (0.61) AGTR1AGTR2MEN1KMT2ALMNA

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 4 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