SCHEMBL9847862

SCHEMBL9847862

COC(=O)c1cc(Cn2c(C3CC3)nc3c(C)ccnc32)ccc1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.71
AGTR2 P50052 2/20 0.71
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
PPARG P37231 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8958505 0.91 AGTR1 (0.81) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL8802161 0.90 AGTR1 (0.82) AGTR1AGTR2PPARG
SCHEMBL685515 0.83 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL30838455 0.83 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL20017271 0.81 AGTR1 (0.80) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL8972527 0.80 AGTR1 (0.93) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL9847805 0.79 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL20860208 0.79 AGTR1 (0.82) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL8872682 0.79 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL9847837 0.79 AGTR1 (0.58) AGTR1AGTR2NOS1NOS2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed