SCHEMBL8707753

SCHEMBL8707753

CCOC(=O)C1(c2ccc(Cn3c(C4CC4)nc4c(C)cc(C)nc43)s2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.37
TSPO P30536 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
AGTR2 P50052 1/20 0.34
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
MAPK1 P28482 1/20 0.33
CRHR2 Q13324 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL8700740 0.99 AGTR1 (0.37) AGTR1TSPOALDH1A1MEN1KMT2A
SCHEMBL7471672 0.92 AGTR1 (0.37) AGTR1TSPOAGTR2
SCHEMBL7413327 0.91 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL2876441 0.90 AGTR1 (0.38) AGTR1AGTR2MAPT
SCHEMBL243509 0.90 AGTR1 (0.38) AGTR1AGTR2MAPT
SCHEMBL8705362 0.87 GPR4 (0.43)
SCHEMBL245008 0.83 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL7422797 0.81 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL244556 0.81 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL2884118 0.79

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-5789415-A Azacyclic-heterocyclic compounds as angiotension II receptor antagonists PFIZER INC. (US) 1998-08-04 US disclosed