SCHEMBL31348264

SCHEMBL31348264

O=C1c2ccccc2C(=O)N1CC[C@@H](O)CN1CCC(F)(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.45
OPRM1 P35372 5/20 0.45
OPRD1 P41143 1/20 0.45
ABCB11 O95342 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
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 0.82 OPRL1 (0.46) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL31348113 0.82 OPRL1 (0.46) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL31348146 0.81 ALDH1A1 (0.38) OPRM1MAPK1SIGMAR1KDM4ESMN1; SMN2
SCHEMBL31348172 0.79 OPRM1 (0.40) OPRL1OPRM1OPRD1SCN1ASCN5A
SCHEMBL31348261 0.73 SCN1A (0.43) MAPK1SCN1ASCN5ASCN9ADRD3
SCHEMBL31348255 0.72 DRD2 (0.39) OPRL1OPRM1ABCB11TP53CYP3A4
SCHEMBL31348169 0.72 ABCB11 (0.37) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL31348260 0.70 HSD17B2 (0.41) MAPK1SCN1ASCN5ASCN9ASMN1; SMN2
SCHEMBL11811302 0.69 MAPK1 (0.56) OPRL1OPRM1OPRD1ABCB11TP53
SCHEMBL24484713 0.68 KDM1A (0.48) OPRL1OPRM1OPRD1OPRK1

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