SCHEMBL10409809

SCHEMBL10409809

C=CCC1CCC(C2CCC(c3cccc(F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.37
GRM2 Q14416 2/20 0.37
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
USP5 P45974 1/20 0.35
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM4 P08173 1/20 0.34
BPTF Q12830 1/20 0.33
MLYCD O95822 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CCR5 P51681 1/20 0.33
KCNQ2 O43526 1/20 0.33
SCD5 Q86SK9 1/20 0.33

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
SCHEMBL10409807 1.00 DRD4 (0.37) DRD4GRM2KDM1ARCOR1HTR2A
SCHEMBL9482504 0.96 DRD4 (0.39) DRD4GRM2KDM1ARCOR1HTR2A
SCHEMBL7728665 0.96 DRD4 (0.39) DRD4GRM2KDM1ARCOR1HTR2A
SCHEMBL13604933 0.84 ALDH1A1 (0.36) DRD4KDM1ARCOR1HTR2AHTR2C
SCHEMBL19850828 0.82 ESR2 (0.38) GRM2HTR2AALDH1A1CYP3A4CYP2D6
SCHEMBL11313360 0.82 IDO1 (0.40) CYP3A4CYP2D6
SCHEMBL10815112 0.82 IDO1 (0.40) CYP3A4CYP2D6
SCHEMBL10783696 0.82 IDO1 (0.40) CYP3A4CYP2D6
SCHEMBL9242057 0.82 IDO1 (0.40) CYP3A4CYP2D6
SCHEMBL9242051 0.82 IDO1 (0.40) CYP3A4CYP2D6

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-4908152-A Cyclohexane derivative CHISSO CORPORATION (JP) 1990-03-13 US disclosed