Sugi Predict

Sugi Predict / Compounds / SCHEMBL9396362

SCHEMBL9396362

SCHEMBL9396362

C1=C(CCc2ccccc2)CCN(Cc2cc3ccccc3[nH]2)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.46
▸ DRD2 P14416 5/20 0.44
▸ DRD3 P35462 5/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ CHRNA7 P36544 2/20 0.43

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
SCHEMBL9392973 0.93 HRH4 (0.49) HRH4HRH3DRD2DRD3DRD4
Oxalic Acid SCHEMBL8683797 0.88 HRH4 (0.45) HRH4HRH3DRD2DRD3DRD4
SCHEMBL8874246 0.84 KDR (0.45) HRH4DRD2DRD3DRD4
SCHEMBL8683088 0.80 DRD4 (0.60) HRH4HRH3DRD2DRD3DRD4
SCHEMBL8984029 0.79 SIGMAR1 (0.50) DRD2DRD3DRD4
SCHEMBL1388460 0.78 DRD4 (0.67) DRD2DRD3DRD4
SCHEMBL8681808 0.76 HRH4 (0.73) HRH4HRH3DRD2DRD3DRD4
SCHEMBL9396195 0.76 HRH4 (0.54) HRH4HRH3DRD2DRD3DRD4
SCHEMBL9091956 0.74 BCHE (0.57) DRD2DRD3DRD4
SCHEMBL8873570 0.74 KDR (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994024105-A1 INDOLE DERIVATIVES AS DOPAMINE D4 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-10-27 — — WO claimed
WO-1994024105-A1 INDOLE DERIVATIVES AS DOPAMINE D4 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-10-27 — — WO disclosed