SCHEMBL7271271

SCHEMBL7271271

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

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.91
CYP3A4 P08684 5/20 0.91
CYP2C9 P11712 5/20 0.91
CYP2C19 P33261 5/20 0.91
MAPT P10636 5/20 0.91
LMNA P02545 4/20 0.91
CYP2D6 P10635 4/20 0.91
TDP1 Q9NUW8 3/20 0.91
TSHR P16473 3/20 0.91
ADRA2A P08913 3/20 0.91
ADORA3 P0DMS8 2/20 0.91
NPC1 O15118 1/20 0.91
ABCC4 O15439 1/20 0.91
ABCB11 O95342 1/20 0.91
PGR P06401 1/20 0.91
CHRM2 P08172 1/20 0.91
ABCB1 P08183 1/20 0.91
HTR1A P08908 1/20 0.91
CYP2C8 P10632 1/20 0.91
CHRM1 P11229 1/20 0.91

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
Nicardipine SCHEMBL6621793 0.95 CYP1A2 (0.97) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
Nicardipine SCHEMBL20421321 0.95 CYP1A2 (0.97) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
Nicardipine SCHEMBL6621792 0.95 CYP1A2 (0.97) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
Nicardipine SCHEMBL34277 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
Nicardipine SCHEMBL1172950 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
Nicardipine SCHEMBL31059901 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
Nicardipine SCHEMBL29430153 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
Nicardipine SCHEMBL34278 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
Nicardipine SCHEMBL34279 0.95 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
Nicardipine SCHEMBL1653198 0.94 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19MAPT

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
EP-0207514-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1993-09-29 EP disclosed
US-4824837-A VASODILATORS SUNTORY LIMITED (JP) 1989-04-25 US disclosed