SCHEMBL27352123

SCHEMBL27352123

NCCCCc1ccc(CN)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.65
▸ HRH1 P35367 4/20 0.58
▸ HTR2A P28223 2/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.50
▸ LOXL2 Q9Y4K0 3/20 0.48
▸ ABAT P80404 1/20 0.46
▸ MAOB P27338 2/20 0.44

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
SCHEMBL21580517 0.97 MAOA (0.62) MAOAHRH1HTR2AHRH3LOXL2
SCHEMBL6314062 0.92 MAOA (0.54) MAOAHRH1HTR2AHRH3LOXL2
SCHEMBL31524115 0.92 HRH3 (0.58) MAOAHRH1HTR2AHRH3LOXL2
SCHEMBL3680378 0.92 MAOA (0.75) MAOAHRH1HTR2AMAOB
SCHEMBL9350714 0.89 MAOA (0.71) MAOAHRH1HTR2AMAOB
SCHEMBL6312084 0.86 HRH3 (0.58) MAOAHTR2AHRH3LOXL2ABAT
SCHEMBL3678682 0.83 MAOA (0.62) MAOAHRH1HTR2ALOXL2
SCHEMBL12598856 0.82 MAOA (0.95) MAOAHRH1HTR2ALOXL2MAOB
SCHEMBL2328304 0.82 MAOB (0.67) MAOAHRH1HTR2ALOXL2MAOB
Hydrochloric Acid SCHEMBL6561599 0.80 MAOA (0.59) MAOAHRH1HTR2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1090581-A The preparation method of the novel derivative of erythromycin and they and as the application of medicine ROUSSEL UCLAF (FR) 1994-08-10 — — CN claimed
CN-1280561-A Amidocarboxylic acid derivatives SANKYO CO (JP) 2001-01-17 — — CN disclosed
CN-1040876-C New derivatives of erythromycin, their preparation process, their use as medicaments ROUSSEL UCLAF (FR) 1998-11-25 — — CN disclosed
CN-1090581-A The preparation method of the novel derivative of erythromycin and they and as the application of medicine ROUSSEL UCLAF (FR) 1994-08-10 — — CN disclosed
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