SCHEMBL13014641

SCHEMBL13014641

NCc1ccc(-c2ccc(CF)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.74
▸ TAAR1 Q96RJ0 5/20 0.61
▸ LOXL2 Q9Y4K0 6/20 0.52
▸ CYP2A6 P11509 1/20 0.47
▸ ADRB2 P07550 1/20 0.46
▸ ABAT P80404 1/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ MAOB P27338 1/20 0.41
▸ ASIC3 Q9UHC3 1/20 0.41

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
SCHEMBL1646200 0.92 LOXL2 (0.60) HRH3TAAR1LOXL2ABATMAOB
SCHEMBL2274647 0.86 HRH3 (1.00) HRH3TAAR1LOXL2CYP2A6ADRB2
SCHEMBL9552726 0.86 HRH3 (0.47) HRH3TAAR1MAOB
SCHEMBL9510277 0.86 HRH3 (0.47) HRH3TAAR1MAOB
SCHEMBL4415525 0.79 LOXL2 (0.84) HRH3TAAR1LOXL2CYP2A6ADRB2
Hydrochloric Acid SCHEMBL20497365 0.77 LOXL2 (0.80) HRH3TAAR1LOXL2CYP2A6ADRB2
SCHEMBL15828 0.76 HRH3 (0.79) HRH3TAAR1LOXL2ADRB2ABAT
SCHEMBL1338455 0.76 HRH3 (0.35) HRH3TAAR1LOXL2
SCHEMBL22202237 0.76 TAAR1 (1.00) HRH3TAAR1LOXL2CYP2A6ADRB2
SCHEMBL22291708 0.76 TAAR1 (1.00) HRH3TAAR1LOXL2CYP2A6ADRB2

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
EP-2258688-A1 Pyridinone derivatives for treatment of atherosclerosis SmithKline Beecham Limited (GB) 2010-12-08 — — EP disclosed
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