SCHEMBL16808226

SCHEMBL16808226

Cc1ccc(OCCCCNCCCCCCCCC#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.63
▸ DRD4 P21917 13/20 0.63
▸ DRD3 P35462 11/20 0.63
▸ TP53 P04637 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ GAA P10253 2/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL16808182 0.86 HRH3 (0.49) DRD2DRD4DRD3GAAALDH1A1
SCHEMBL6968933 0.84 DRD2 (0.53) DRD2DRD4DRD3GAAALDH1A1
SCHEMBL12835040 0.80 TP53 (0.71) DRD2DRD4DRD3TP53ALOX15
SCHEMBL16358123 0.80 DRD2 (0.69) DRD2DRD4DRD3TP53ALOX15
SCHEMBL10200140 0.80 DRD2 (0.74) DRD2DRD4DRD3TP53ALOX15
Hydrochloric Acid SCHEMBL8042240 0.78 DRD2 (0.92) DRD2DRD4DRD3KDM4E
SCHEMBL10745573 0.78 GAA (0.58) DRD2DRD4DRD3GAAALDH1A1
SCHEMBL12835030 0.78 DRD2 (0.71) DRD2DRD4DRD3TP53ALOX15
SCHEMBL16359935 0.78 DRD2 (0.71) DRD2DRD4DRD3TP53ALOX15
SCHEMBL10200141 0.78 DRD2 (0.77) DRD2DRD4DRD3ALDH1A1KDM4E

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-2015087857-A1 ARYL AMIDINE COMPOUND AND BACTERICIDAL AGENT 日本曹達株式会社 2015-06-18 — — WO disclosed
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