SCHEMBL31348112

SCHEMBL31348112

NCCC(O)CN1CCC(c2ccc(C(F)(F)F)cc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.40
DRD2 P14416 1/20 0.39
GRIN2B Q13224 1/20 0.36
GRM2 Q14416 1/20 0.36
SLC18A3 Q16572 1/20 0.36
CCR2 P41597 3/20 0.36
FPR2 P25090 2/20 0.36
CACNA1G O43497 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL31348258 1.00 PDE2A (0.40) PDE2ADRD2GRIN2BGRM2SLC18A3
SCHEMBL31348114 0.91 PDE2A (0.38) PDE2ADRD2SLC18A3CCR2FPR2
SCHEMBL31348140 0.84 DRD2 (0.55) DRD2GRIN2BGRM2SLC18A3CCR2
SCHEMBL31348261 0.82 SCN1A (0.43) DRD2SCN1ASCN5ASCN9A
SCHEMBL31348262 0.74 DRD4 (0.49) DRD2GRM2SLC18A3KCNH2
SCHEMBL15591909 0.70 CHRNB2 (0.49) PDE2ASIGMAR1
SCHEMBL31348186 0.68 OPRL1 (0.46) DRD2SIGMAR1
SCHEMBL31348178 0.68 DRD4 (0.43) DRD2GRM2KCNH2
SCHEMBL31348113 0.68 OPRL1 (0.46) DRD2SIGMAR1
SCHEMBL31348167 0.67 HTR2B (0.44) DRD2GRIN2B

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