SCHEMBL7340809

SCHEMBL7340809

COC(=O)C1=C(C)NC(C(F)(F)F)=C(C(=O)OCCN2CCCC2=O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HIF1A Q16665 3/20 0.57
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
CYP2D6 P10635 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
ADRA1A P35348 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
ABCB1 P08183 2/20 0.56
ADRA2A P08913 2/20 0.56

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
SCHEMBL7350825 0.95 CACNA1F (0.61) MAPTMEN1KMT2AHIF1ACYP1A2
SCHEMBL7351704 0.92 MAPT (0.67) MAPTMEN1KMT2AHIF1ACYP1A2
SCHEMBL7348085 0.92 CACNA1F (0.49) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7345282 0.91 CACNA1F (0.56) MAPTMEN1KMT2AHIF1ACYP1A2
SCHEMBL7341670 0.89 MAPT (0.60) MAPTMEN1KMT2AHIF1ACYP1A2
SCHEMBL7365280 0.84 ADRA1A (0.65) MAPTMEN1KMT2AHIF1ACYP1A2
SCHEMBL7344661 0.84 MAPT (0.60) MAPTMEN1KMT2AHIF1ACYP1A2
SCHEMBL7344588 0.84 MAPT (0.59) MAPTMEN1KMT2AHIF1ACYP1A2
SCHEMBL7346767 0.84 CACNA1F (0.65) MAPTMEN1KMT2AHIF1ACYP1A2
SCHEMBL7327248 0.82 HIF1A (0.65) MAPTMEN1KMT2AHIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4833150-A HYPOTENSIVES, ANTIARRHYTHMIA AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-05-23 US disclosed
US-4652573-A HYPOTENSIVE AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1987-03-24 US disclosed
EP-0194685-A1 1,4-Dihydropyridines Whitby Research Incorporated (US) 1986-09-17 EP disclosed