SCHEMBL7350843

SCHEMBL7350843

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3C2=O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
CYP1A2 P05177 5/20 0.70
CYP3A4 P08684 5/20 0.70
CYP2C9 P11712 5/20 0.70
CYP2C19 P33261 5/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
CYP2D6 P10635 4/20 0.70
HIF1A Q16665 3/20 0.70
LMNA P02545 3/20 0.70
TSHR P16473 2/20 0.70
POLB P06746 1/20 0.70
MAPK1 P28482 1/20 0.70
GPR55 Q9Y2T6 1/20 0.70
NFKB1 P19838 1/20 0.70
THPO P40225 1/20 0.70
TDP1 Q9NUW8 4/20 0.66
CACNA1C Q13936 2/20 0.66
CACNA1F O60840 1/20 0.66
CACNA1D Q01668 1/20 0.66

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
SCHEMBL10918103 1.00 MAPT (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7341750 0.96 CACNA1F (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7279871 0.95 MAPT (0.66) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10742637 0.95 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9675181 0.95 MEN1 (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9672729 0.94 CACNA1F (0.68) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7274108 0.94 CACNA1F (0.75) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7282141 0.93 CACNA1F (0.69) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9674767 0.93 CACNA1F (0.69) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7346945 0.93 CACNA1F (0.69) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4652573-A HYPOTENSIVE AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1987-03-24 US claimed
US-5258519-A FOR TREATMENT OF HYPERTENSION AND CARDIAC CONDITIONS GLAXO INC. (US) 1993-11-02 US disclosed
EP-0250725-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1992-11-04 EP disclosed
US-5100892-A Hypotensive agents, congestive heart failure GLAXO INC. (US) 1992-03-31 US disclosed
US-4833150-A HYPOTENSIVES, ANTIARRHYTHMIA AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-05-23 US disclosed
US-4757080-A Pharmaceuticals HEUMANN PHARMA GMBH & CO. (DE) 1988-07-12 US disclosed
EP-0250725-A1 1,4-Dihydropyridine derivatives, processes for their preparation and medicaments containing them HEUMANN PHARMA GMBH & CO (DE) 1988-01-07 EP disclosed
US-4652573-A HYPOTENSIVE AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1987-03-24 US disclosed