SCHEMBL31348255

SCHEMBL31348255

CN1C(=O)Cc2cc(C(=O)NCC[C@@H](O)CN3CCC(F)(c4cccc(C(F)(F)F)c4)C3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.39
DRD3 P35462 6/20 0.39
DRD4 P21917 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
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
KDM4E B2RXH2 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL31348169 0.86 ABCB11 (0.37) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL31348234 0.81 PRMT5 (0.43) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL31348129 0.79 SMYD3 (0.42) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL31348230 0.77 SMYD3 (0.41) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL31348109 0.77 SMYD3 (0.42) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL31348200 0.74 SMYD3 (0.37) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL31348113 0.73 OPRL1 (0.46) DRD2DRD3DRD4ABCB11TP53
SCHEMBL31348186 0.73 OPRL1 (0.46) DRD2DRD3DRD4ABCB11TP53
SCHEMBL31348183 0.72 DRD3 (0.64) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL31348264 0.72 OPRL1 (0.45) DRD2DRD3ABCB11TP53CYP3A4

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