SCHEMBL9847846

SCHEMBL9847846

CCOc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.47
AGTR2 P50052 4/20 0.47
ABCB11 O95342 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA2B P18089 1/20 0.36
SLC6A2 P23975 1/20 0.36
TBXAS1 P24557 1/20 0.36
HTR2C P28335 1/20 0.36
PPARG P37231 1/20 0.36
HTR2B P41595 1/20 0.36
PDE3A Q14432 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL9847869 0.93 AGTR2 (0.47) AGTR1AGTR2
SCHEMBL9847856 0.93 AGTR2 (0.47) AGTR1AGTR2
SCHEMBL9847838 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8566359 0.91 AGTR1 (0.54) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL9847882 0.90 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9847777 0.88 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9847782 0.86 AGTR2 (0.61) AGTR1AGTR2
SCHEMBL9847884 0.86 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL9847792 0.85 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7050680 0.85 AGTR1 (0.55) AGTR1AGTR2

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