SCHEMBL29048010

SCHEMBL29048010

O=C1CCCC2(CCN(c3cc(OC(F)C(F)F)ncn3)CC2)N1c1ccc(F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 3/20 0.33
CYP11B2 P19099 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
KCNH2 Q12809 1/20 0.30
LTC4S Q16873 1/20 0.30
CHRM4 P08173 1/20 0.30
DPP4 P27487 2/20 0.30
MMP13 P45452 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
SCHEMBL30494523 0.87 LIPE (0.37) ELOVL1DPP4MMP13
SCHEMBL24253841 0.87 LIPE (0.37) ELOVL1DPP4MMP13
SCHEMBL24253624 0.84 ELOVL1 (0.37) ELOVL1HTR1ADRD2ADRA1DADRA1A
SCHEMBL30423985 0.82 HCRTR1 (0.35) CYP11B2HTR1ADRD2ADRA1DADRA1A
SCHEMBL24253866 0.82 HCRTR1 (0.35) CYP11B2HTR1ADRD2ADRA1DADRA1A
SCHEMBL24253950 0.81 GPR119 (0.36) ELOVL1
SCHEMBL30423581 0.80 ELOVL1 (0.35) ELOVL1HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL24253859 0.80 ELOVL1 (0.35) ELOVL1HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL24253644 0.79 ELOVL1 (0.41) ELOVL1HTR1ADRD2ADRA1DADRA1A
SCHEMBL30424148 0.79 ELOVL1 (0.41) ELOVL1HTR1ADRD2ADRA1DADRA1A

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-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 CN disclosed