SCHEMBL9712905

SCHEMBL9712905

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCC2CC(c3ccccc3)=CCN2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
CYP1A2 P05177 6/20 0.62
CYP3A4 P08684 6/20 0.62
CYP2C9 P11712 6/20 0.62
CYP2C19 P33261 6/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
CYP2D6 P10635 5/20 0.62
HIF1A Q16665 4/20 0.62
LMNA P02545 4/20 0.62
TSHR P16473 3/20 0.62
MAPK1 P28482 2/20 0.62
NFKB1 P19838 2/20 0.62
THPO P40225 2/20 0.62
POLB P06746 1/20 0.62
GPR55 Q9Y2T6 1/20 0.62
TDP1 Q9NUW8 5/20 0.61
ADRA1A P35348 4/20 0.60
ABCB1 P08183 3/20 0.60
ADRA2A P08913 3/20 0.60

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
SCHEMBL9855750 0.95 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9712559 0.81 HIF1A (0.68) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9712909 0.80 MAPT (0.66) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7281098 0.80 HIF1A (0.81) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9476417 0.80 MEN1 (0.84) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11739916 0.79 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7300924 0.79 HIF1A (0.82) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7431297 0.79 HIF1A (0.82) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7161991 0.79 HIF1A (0.86) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9765794 0.78 CYP1A2 (0.75) 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-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed
US-5034395-A Hypotensive agents, carboxylated dihydropyridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed