SCHEMBL13398933

SCHEMBL13398933

O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)OCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 16/20 0.75
▸ FAAH O00519 13/20 0.75
▸ DRD2 P14416 8/20 0.75
▸ CNR1 P21554 2/20 0.75
▸ DRD4 P21917 1/20 0.65

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
SCHEMBL13399454 0.97 DRD3 (0.70) DRD3FAAHDRD2CNR1DRD4
SCHEMBL19580027 0.84 DRD3 (0.79) DRD3FAAHDRD2CNR1DRD4
SCHEMBL16401646 0.82 FAAH (1.00) DRD3FAAHDRD2CNR1DRD4
SCHEMBL2213204 0.82 HTR2A (0.62) DRD3DRD2DRD4
SCHEMBL16406381 0.81 FAAH (1.00) DRD3FAAHDRD2CNR1DRD4
SCHEMBL19580065 0.81 DRD3 (0.73) DRD3FAAHDRD2CNR1DRD4
SCHEMBL13737251 0.80 HTT (0.60) —
Hydrochloric Acid SCHEMBL17889755 0.80 FAAH (1.00) DRD3FAAHDRD2CNR1DRD4
SCHEMBL8828536 0.80 DRD2 (0.72) DRD3FAAHDRD2CNR1DRD4
SCHEMBL31596983 0.79 HTT (0.59) —

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-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 — — WO disclosed
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