SCHEMBL8532809

SCHEMBL8532809

NCCCCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49
MAOA P21397 1/20 0.41
AGT P01019 2/20 0.40
HSD11B1 P28845 4/20 0.37
MAOB P27338 2/20 0.35
HTR2A P28223 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL4246354 0.87 AGTR1 (0.50) AGTR1AGTR2AGT
SCHEMBL8907583 0.84 AGTR1 (0.51) AGTR1AGTR2AGTHSD11B1
SCHEMBL30316147 0.83 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL9024777 0.83 AGTR1 (0.51) AGTR1AGTR2AGT
SCHEMBL796 0.82 AGTR1 (0.50) AGTR1AGTR2AGT
SCHEMBL29404889 0.82 AGTR1 (0.50) AGTR1AGTR2AGT
SCHEMBL8246839 0.82 AGTR1 (0.50) AGTR1AGTR2AGT
SCHEMBL8539585 0.82 AGTR1 (0.52) AGTR1AGTR2AGT
SCHEMBL13146764 0.82 AGTR1 (0.55) AGTR1AGTR2AGTHSD11B1
SCHEMBL9307853 0.82 AGTR1 (0.50) AGTR1AGTR2AGT

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
US-5846991-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 US disclosed