SCHEMBL7801061

SCHEMBL7801061

COc1cc(F)c([N+](=O)[O-])cc1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ SIRT6 Q8N6T7 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ LMNA P02545 3/20 0.55
▸ WDR5 P61964 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ HTR1A P08908 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ HTR6 P50406 1/20 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
SCHEMBL30020102 0.85 MAPT (0.69) MAPTALDH1A1SIRT6CYP1A2CYP2D6
SCHEMBL12312120 0.85 SIRT6 (0.64) MAPTALDH1A1SIRT6CYP1A2CYP2D6
SCHEMBL23153821 0.82 SIRT6 (0.58) MAPTALDH1A1SIRT6CYP1A2CYP2D6
SCHEMBL29847854 0.81 MAPT (0.76) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL30913088 0.81 MAPT (0.72) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL15800716 0.81 MAPT (0.72) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL16513593 0.81 MAPT (0.76) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22028444 0.77 SIRT6 (0.61) MAPTALDH1A1SIRT6CYP1A2CYP2D6
SCHEMBL30965662 0.76 MAPT (0.52) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31487397 0.76 MAPT (0.52) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533268-B1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LTD (GB) 2001-08-16 — — EP disclosed
US-5510350-A USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1996-04-23 — — US disclosed
US-5358948-A Psychological, nervous system disorders GLAXCO GROUP LIMITED (GB) 1994-10-25 — — US disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 — — US disclosed
WO-1993006084-A1 BENZANILIDE DERIVATIVES AS 5-HT1D ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-04-01 — — WO disclosed
EP-0533267-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 — — EP disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 — — EP disclosed
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