SCHEMBL31348113

SCHEMBL31348113

NCCC(O)CN1CCC(F)(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.46
OPRM1 P35372 7/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.42
SLC6A4 P31645 1/20 0.42
ABCB11 O95342 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM1A O60341 2/20 0.40
KDM4E B2RXH2 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31348186 1.00 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1SLC6A4
SCHEMBL31348264 0.82 OPRL1 (0.45) OPRL1OPRM1OPRD1OPRK1ABCB11
SCHEMBL31348197 0.77 CNR1 (0.33) OPRM1SIGMAR1DRD4DRD2DRD3
SCHEMBL31348255 0.73 DRD2 (0.39) OPRL1OPRM1ABCB11TP53CYP3A4
SCHEMBL31348140 0.72 DRD2 (0.55) DRD4DRD2DRD3
SCHEMBL14282284 0.71 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1KDM1A
SCHEMBL24484713 0.71 KDM1A (0.48) OPRL1OPRM1OPRD1OPRK1SLC6A4
SCHEMBL14660868 0.69 CHRNA7 (0.51) OPRL1OPRM1OPRD1OPRK1SLC6A4
SCHEMBL31348112 0.68 PDE2A (0.40) SIGMAR1DRD2
SCHEMBL31348258 0.68 PDE2A (0.40) SIGMAR1DRD2

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-2025006982-A1 POTENT AND SELECTIVE DOPAMINE D3 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-01-02 WO disclosed