SCHEMBL10475673

SCHEMBL10475673

Oc1ccccc1CCN1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.65
DRD4 P21917 1/20 0.52
GRM2 Q14416 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
CHRM4 P08173 1/20 0.49
HTR2C P28335 2/20 0.47
KDM4A O75164 1/20 0.43
KDM4B O94953 1/20 0.43
KDM5C P41229 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
CCR5 P51681 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
SLC18A3 Q16572 1/20 0.43

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
SCHEMBL6921065 0.85 DRD2 (0.63) DRD2DRD4GRM2CHRM4HTR2C
SCHEMBL9311321 0.82 DRD2 (0.66) DRD2DRD4GRM2CHRM4HTR2C
SCHEMBL4823773 0.79 DRD2 (1.00) DRD2DRD4GRM2HTR2CSIGMAR1
SCHEMBL9422688 0.78 DRD2 (0.63) DRD2DRD4GRM2HRH3CHRM4
Hydrochloric Acid SCHEMBL9305904 0.77 DRD2 (0.62) DRD2DRD4GRM2HRH3CHRM4
SCHEMBL27782533 0.77 DRD2 (0.58) DRD2DRD4GRM2CHRM4HTR2C
SCHEMBL4824740 0.77 DRD2 (0.85) DRD2DRD4GRM2HTR2C
SCHEMBL9311044 0.75 DRD2 (0.66) DRD2DRD4GRM2HRH3SIGMAR1
SCHEMBL9667283 0.75 CHRM4 (0.69) DRD2DRD4GRM2CHRM4HTR2C
SCHEMBL11822283 0.75 DRD2 (0.69) DRD2DRD4GRM2CHRM4HTR2C

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-1990006303-A1 ARYLPIPERIDINE DERIVATIVES PFIZER INC. (US) 1990-06-14 WO disclosed