SCHEMBL9581837

SCHEMBL9581837

O=C(O)c1ccc2[nH]cc(CCCCN3CCCC(c4cccc(O)c4)C3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ SIGMAR1 Q99720 3/20 0.49
▸ DRD4 P21917 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ PRCP P42785 1/20 0.49
▸ EBP Q15125 1/20 0.49
▸ DRD2 P14416 1/20 0.49

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
SCHEMBL9581488 0.93 DRD4 (0.49) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9581965 0.92 HTR7 (0.53) —
SCHEMBL9581908 0.90 TDP1 (0.56) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9582547 0.90 TDP1 (0.54) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL7279314 0.90 DRD4 (0.55) TDP1SIGMAR1DRD4DRD3NFKB1
SCHEMBL10646354 0.87 DRD4 (0.47) TDP1SIGMAR1DRD4DRD3NFKB1
SCHEMBL7281777 0.86 DRD4 (0.55) SIGMAR1DRD4DRD3NFKB1PRCP
SCHEMBL9581627 0.85 SIGMAR1 (0.48) SIGMAR1DRD4DRD3NFKB1PRCP
SCHEMBL7282130 0.85 CYP1A2 (0.60) TDP1DRD4DRD3DRD2
SCHEMBL7282059 0.85 DRD4 (0.55) SIGMAR1DRD4DRD3NFKB1PRCP

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
US-5256673-A Indole-3-yl-A-tetrahydropyridyl or piperidyl compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-26 — — US disclosed
Send feedback