SCHEMBL8612136

SCHEMBL8612136

NCCc1ccc(OCCBr)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.53
▸ MAOB P27338 6/20 0.53
▸ HTR2A P28223 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
SCHEMBL8607813 0.85 LTA4H (0.62) TAAR1MAOB
SCHEMBL2163896 0.83 TAAR1 (0.57) TAAR1MAOBHTR2A
SCHEMBL14599625 0.83 TAAR1 (0.57) TAAR1MAOBHTR2A
SCHEMBL4303101 0.83 TAAR1 (0.57) TAAR1MAOB
Hydrochloric Acid SCHEMBL6575644 0.83 LTA4H (0.60) TAAR1MAOB
Hydrochloric Acid SCHEMBL5519833 0.82 MAOB (0.58) TAAR1MAOB
SCHEMBL10305086 0.82 MAOB (0.58) TAAR1MAOB
SCHEMBL1047171 0.80 HTR2A (0.62) TAAR1MAOBHTR2A
SCHEMBL3057820 0.80 LMNA (0.59) TAAR1MAOBHTR2A
SCHEMBL2415919 0.80 ALDH1A1 (0.54) —

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
EP-0832110-A1 ANTIVIRAL PEPTOID COMPOUNDS Novartis AG (CH) 1998-04-01 — — EP disclosed
WO-1996040759-A1 ANTIVIRAL PEPTOID COMPOUNDS NOVARTIS AG (CH) 1996-12-19 — — WO disclosed
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