SCHEMBL18503370

SCHEMBL18503370

Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 4/20 0.37
HTR1A P08908 2/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
OPRL1 P41146 7/20 0.34
ESR2 Q92731 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
DRD4 P21917 1/20 0.33
NOTUM Q6P988 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE2A O00408 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
SCHEMBL18503369 0.95 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL16962148 0.88 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL19621290 0.87 OPRL1 (0.42) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL13401946 0.86 OPRL1 (0.46) OPRL1
SCHEMBL10311700 0.84 PDE2A (0.35) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL12917796 0.83 ESR2 (0.44) OPRL1ESR2
SCHEMBL739154 0.83 ESR2 (0.44) OPRL1ESR2
SCHEMBL20312881 0.83 ESR2 (0.44) OPRL1ESR2
SCHEMBL18440774 0.83 ESR2 (0.44) OPRL1ESR2
SCHEMBL13408582 0.82 DGAT1 (0.37) SLC6A2SLC6A4SLC6A3OPRL1DRD4

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-20170045765-A1 LCD DEVICE DIC CORPORATION (JP) 2017-02-16 US disclosed