SCHEMBL1912758

SCHEMBL1912758

NCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 9/20 0.71
▸ MAOB P27338 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CALM1 P0DP23 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ AGXT P21549 2/20 0.50

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
SCHEMBL7138354 0.83 LTA4H (1.00) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL12811446 0.83 MAOB (0.71) LTA4HMAOBL3MBTL1CYP1A2CYP2C19
SCHEMBL10607135 0.81 LTA4H (0.67) LTA4HMAOBL3MBTL1CALM1CYP1A2
SCHEMBL609214 0.81 — —
Hydrochloric Acid SCHEMBL7435342 0.80 LTA4H (0.79) LTA4HMAOBL3MBTL1CYP1A2CYP2D6
SCHEMBL10599543 0.80 LMNA (0.69) LTA4HMAOBL3MBTL1CYP1A2CYP2C19
SCHEMBL8672820 0.80 LTA4H (0.74) LTA4HL3MBTL1CALM1CYP1A2CYP2D6
SCHEMBL11856925 0.80 LMNA (0.69) LTA4HMAOBL3MBTL1CYP1A2CYP2C19
SCHEMBL28218232 0.79 TAAR1 (0.61) LTA4HMAOBAGXT
SCHEMBL10062561 0.78 LTA4H (0.63) LTA4HL3MBTL1CALM1CYP1A2CYP2D6

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-1565452-B1 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NOVARTIS INT PHARM LTD (BM) 2012-04-04 — — EP disclosed
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