SCHEMBL30291276

SCHEMBL30291276

CC1OCC2(CCCC(OCc3ccccc3)C2)c2cccc(F)c21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.39
OPRM1 P35372 3/20 0.36
OPRL1 P41146 2/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM1A O60341 2/20 0.35
DPP4 P27487 1/20 0.34
SIGMAR1 Q99720 4/20 0.32
TMEM97 Q5BJF2 2/20 0.32
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL23645060 1.00 HDAC4 (0.39) HDAC4OPRM1OPRL1HTR1ASLC6A2
SCHEMBL23644320 0.84 OPRM1 (0.39) HDAC4OPRM1OPRL1DPP4SIGMAR1
SCHEMBL30291422 0.84 OPRM1 (0.39) HDAC4OPRM1OPRL1DPP4SIGMAR1
SCHEMBL30291219 0.81 HDAC4 (0.41) HDAC4OPRM1OPRL1HTR1ASLC6A2
SCHEMBL23645494 0.81 HDAC4 (0.41) HDAC4OPRM1OPRL1HTR1ASLC6A2
SCHEMBL23644323 0.77 HDAC4 (0.32) HDAC4
SCHEMBL23645286 0.76 OPRM1 (0.35) HDAC4OPRM1OPRL1DPP4SIGMAR1
SCHEMBL30291320 0.76 OPRM1 (0.41) HDAC4OPRM1OPRL1DPP4SIGMAR1
SCHEMBL23668800 0.76 OPRM1 (0.41) HDAC4OPRM1OPRL1DPP4SIGMAR1
SCHEMBL23645522 0.75 OPRM1 (0.40) HDAC4OPRM1OPRL1DPP4SIGMAR1

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
CN-113087700-B Spirocyclic tetrahydroquinazolines 苏州亚盛药业有限公司 2023-03-14 CN disclosed