SCHEMBL9847788

SCHEMBL9847788

Cc1c(N)cnc2c1nc(C(C)C)n2Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR6 P50406 5/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
HTR7 P34969 2/20 0.33
USP1 O94782 3/20 0.31
WDR48 Q8TAF3 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL8971527 0.91 AGTR1 (0.37) MEN1KMT2AHTR6USP1AGTR1
Ammonia Solution, Strong SCHEMBL9847783 0.85 AGTR1 (0.43) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL8972510 0.83 AGTR1 (0.37) MEN1KMT2AUSP1AGTR1AGTR2
SCHEMBL9311939 0.82 TLR7 (0.39) AGTR1AGTR2
SCHEMBL8971906 0.80 PDE10A (0.41) MEN1KMT2AHTR6AGTR1AGTR2
SCHEMBL8971629 0.79 AGTR1 (0.41) MEN1KMT2AAGTR1AGTR2
SCHEMBL8565215 0.77 AGTR1 (0.37) MEN1KMT2AAGTR1AGTR2
SCHEMBL8972563 0.76 AGTR1 (0.53) MEN1KMT2AAGTR1AGTR2
SCHEMBL9872558 0.76 HTR6 (0.32) HTR6
SCHEMBL9053246 0.76 AGTR1 (0.47) 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 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