SCHEMBL7380294

SCHEMBL7380294

CCOC(=O)C1=C(C#N)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 10/20 0.76
CYP1A2 P05177 5/20 0.76
CYP3A4 P08684 5/20 0.76
CYP2C9 P11712 5/20 0.76
CYP2C19 P33261 5/20 0.76
LMNA P02545 4/20 0.76
CYP2D6 P10635 4/20 0.76
MAPT P10636 4/20 0.76
ADORA3 P0DMS8 4/20 0.76
TSHR P16473 3/20 0.76
TDP1 Q9NUW8 2/20 0.76
ABCB1 P08183 2/20 0.76
TBXA2R P21731 2/20 0.76
SCN5A Q14524 2/20 0.76
NPC1 O15118 1/20 0.76
ABCC4 O15439 1/20 0.76
ABCB11 O95342 1/20 0.76
PGR P06401 1/20 0.76
CHRM2 P08172 1/20 0.76
HTR1A P08908 1/20 0.76

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
SCHEMBL8215921 0.92 CACNA1C (0.89) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
Nicardipine SCHEMBL9449513 0.90 LMNA (0.80) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
Nicardipine SCHEMBL1523512 0.89 CACNA1C (0.95) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10554411 0.89 LMNA (0.93) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10993232 0.88 CACNA1C (0.82) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7379491 0.88 CACNA1C (0.78) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7379212 0.87 CACNA1C (0.69) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9765743 0.87 CACNA1C (0.89) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11844936 0.87 CACNA1C (0.89) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7380559 0.87 CACNA1C (0.75) CACNA1CCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4525478-A Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4145432-A 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed