SCHEMBL7835263

SCHEMBL7835263

CCCCC(CCC)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
OPRL1 P41146 3/20 0.34
TSHR P16473 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CNR2 P34972 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
DRD2 P14416 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 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
SCHEMBL19003530 0.92 NR1I2 (0.36) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL7929733 0.88 NR1I2 (0.39) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL21164276 0.83 TSHR (0.35) TSHRESR1ESR2
SCHEMBL19278380 0.82 MEN1 (0.34) TSHRESR1ESR2
SCHEMBL18885342 0.82 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1
SCHEMBL10292091 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL19697820 0.78 TSHR (0.32) TSHRALDH1A1
SCHEMBL22169024 0.78 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL8735807 0.78 NOS2 (0.35) CNR2ESR1ESR2
SCHEMBL20371511 0.77 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1

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
WO-2010147975-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed