SCHEMBL16358123

SCHEMBL16358123

Cc1ccc(OCCCCCCNCCCO)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.69
▸ DRD4 P21917 11/20 0.69
▸ DRD3 P35462 10/20 0.69
▸ TP53 P04637 3/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ GAA P10253 1/20 0.57
▸ MAPK1 P28482 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ NPC1 O15118 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL16359935 0.98 DRD2 (0.71) DRD2DRD4DRD3TP53ALOX15
SCHEMBL12835040 0.93 TP53 (0.71) DRD2DRD4DRD3TP53ALOX15
SCHEMBL24268710 0.92 DRD2 (0.83) DRD2DRD4DRD3TP53ALOX15
SCHEMBL12835030 0.92 DRD2 (0.71) DRD2DRD4DRD3TP53ALOX15
SCHEMBL8955642 0.86 DRD2 (0.55) DRD2DRD4DRD3TP53ALOX15
SCHEMBL18643855 0.86 DRD2 (0.55) DRD2DRD4DRD3TP53ALOX15
SCHEMBL26116498 0.86 DRD2 (0.55) DRD2DRD4DRD3TP53ALOX15
SCHEMBL18643854 0.86 DRD2 (0.55) DRD2DRD4DRD3TP53ALOX15
SCHEMBL2806021 0.86 DRD2 (0.55) DRD2DRD4DRD3TP53ALOX15
SCHEMBL13572532 0.86 DRD2 (0.55) DRD2DRD4DRD3TP53ALOX15

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-2008127714-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 — — WO disclosed
WO-2008127715-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 — — WO disclosed
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