SCHEMBL18503397

SCHEMBL18503397

CCC1CCC(CCC2CCC(C3CCC(c4cccc(F)c4)CC3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
OPRL1 P41146 5/20 0.39
CHRM4 P08173 1/20 0.38
DRD4 P21917 1/20 0.37
GRM2 Q14416 2/20 0.37
KCNQ2 O43526 1/20 0.37
DRD2 P14416 2/20 0.36
HCRTR2 O43614 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL8753507 0.96 KDM1A (0.42) KDM1ARCOR1OPRL1CHRM4DRD4
SCHEMBL8468020 0.91 KDM1A (0.45) KDM1ARCOR1OPRL1DRD4GRM2
SCHEMBL27682120 0.91 KDM1A (0.45) KDM1ARCOR1OPRL1DRD4GRM2
SCHEMBL10409787 0.90 CYP2C9 (0.43) KDM1ARCOR1OPRL1CHRM4DRD4
SCHEMBL8754430 0.90 CYP2C9 (0.43) KDM1ARCOR1OPRL1CHRM4DRD4
SCHEMBL2861488 0.90 CYP2C9 (0.43) KDM1ARCOR1OPRL1CHRM4DRD4
SCHEMBL11156621 0.87 KDM1A (0.39) KDM1ARCOR1OPRL1CHRM4DRD4
SCHEMBL11156616 0.87 KDM1A (0.39) KDM1ARCOR1OPRL1CHRM4DRD4
SCHEMBL10522645 0.87 CYP2C9 (0.46) KDM1ARCOR1OPRL1CHRM4DRD4
SCHEMBL9829137 0.87 CYP2C9 (0.46) KDM1ARCOR1OPRL1CHRM4DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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