Sugi Predict

Sugi Predict / Compounds / SCHEMBL9703331

SCHEMBL9703331

SCHEMBL9703331

c1ccc(N2CCN(CCC3CCC(c4c[nH]c5ccccc45)CC3)CC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 1.00
▸ DRD3 P35462 2/20 1.00
▸ DRD4 P21917 1/20 1.00
▸ ADRA1D P25100 1/20 0.50

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
SCHEMBL9703158 0.90 DRD2 (0.81) DRD2DRD3DRD4ADRA1D
SCHEMBL9703330 0.90 DRD2 (0.81) DRD2DRD3DRD4ADRA1D
SCHEMBL9703250 0.89 DRD2 (0.79) DRD2DRD3DRD4
SCHEMBL9703912 0.89 DRD2 (0.79) DRD2DRD3DRD4
SCHEMBL9703684 0.86 DRD2 (0.75) DRD2DRD3DRD4
SCHEMBL9703731 0.81 DRD2 (0.68) DRD2DRD3DRD4
SCHEMBL19823060 0.80 DRD2 (0.66) DRD2DRD3DRD4
SCHEMBL9703913 0.80 DRD2 (0.66) DRD2DRD3DRD4
SCHEMBL9705545 0.78 DRD2 (0.64) DRD2DRD3DRD4
SCHEMBL3849926 0.77 DRD2 (0.70) DRD2DRD3DRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992012977-A1 SUBSTITUTED INDOLES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-06 — — WO claimed
WO-1992012977-A1 SUBSTITUTED INDOLES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-06 — — WO disclosed
US-5124332-A Dopaminergic agents, hypotensive agents WARNER-LAMBERT COMPANY (US) 1992-06-23 — — US disclosed