SCHEMBL7365280

SCHEMBL7365280

COC(=O)C1=C(C(F)(F)F)NC(C)=C(C(=O)OCCN2CCN(CCCN)CC2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.65
MAPT P10636 4/20 0.65
ADRA2A P08913 3/20 0.65
ADRA2B P18089 3/20 0.65
ADRA2C P18825 3/20 0.65
ADRA1D P25100 3/20 0.65
ADRA1B P35368 3/20 0.65
MEN1 O00255 3/20 0.65
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 3/20 0.65
CYP2C9 P11712 3/20 0.65
CYP2C19 P33261 3/20 0.65
KMT2A Q03164 3/20 0.65
ABCB1 P08183 2/20 0.65
ADORA3 P0DMS8 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
CYP2D6 P10635 2/20 0.65
TP53 P04637 1/20 0.65
CHRM2 P08172 1/20 0.65
HTR1A P08908 1/20 0.65

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
SCHEMBL7344661 0.88 MAPT (0.60) ADRA1AMAPTADRA2AADRA2BADRA2C
SCHEMBL10889767 0.87 MAPT (0.71) ADRA1AMAPTADRA2AADRA2BADRA2C
SCHEMBL7341670 0.85 MAPT (0.60) ADRA1AMAPTADRA2AADRA2BADRA2C
SCHEMBL7369889 0.85 ABCB1 (0.68) ADRA1AMAPTADRA2AADRA2BADRA2C
SCHEMBL7340809 0.84 MAPT (0.57) ADRA1AMAPTADRA2AADRA2BADRA2C
SCHEMBL7327248 0.84 HIF1A (0.65) MAPTMEN1CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7364760 0.84 ADRA1A (0.57) ADRA1AMAPTADRA2AADRA2BADRA2C
SCHEMBL7428736 0.84 MAPT (0.62) ADRA1AMAPTADRA2AADRA2BADRA2C
SCHEMBL7344588 0.83 MAPT (0.59) ADRA1AMAPTADRA2AADRA2BADRA2C
SCHEMBL7329073 0.83 CACNA1F (0.66) MAPTMEN1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 WO disclosed