SCHEMBL7272013

SCHEMBL7272013

CC1=C(C(=O)OC(C)C)C(c2ccccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.79
CYP1A2 P05177 5/20 0.79
CYP3A4 P08684 5/20 0.79
CYP2C9 P11712 5/20 0.79
CYP2C19 P33261 5/20 0.79
ADORA3 P0DMS8 4/20 0.79
CACNA1C Q13936 4/20 0.79
TSHR P16473 4/20 0.79
NFKB1 P19838 4/20 0.79
CYP2D6 P10635 3/20 0.79
KMT2A Q03164 3/20 0.79
MEN1 O00255 2/20 0.79
CACNA1F O60840 2/20 0.54
CACNA1D Q01668 2/20 0.54
CACNA1S Q13698 2/20 0.54
THPO P40225 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ABCC4 O15439 1/20 0.47
PLIN1 O60240 1/20 0.47
GMNN O75496 1/20 0.47

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
SCHEMBL30897545 0.88 CYP1A2 (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL133106 0.88 CYP1A2 (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29359402 0.88 CYP1A2 (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL718828 0.88 CYP1A2 (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2845539 0.88 CYP1A2 (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7265346 0.86 CYP1A2 (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9875554 0.86 MAPT (0.59) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4896908 0.85 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29394850 0.85 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28830138 0.85 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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
US-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed