SCHEMBL7593821

SCHEMBL7593821

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc([N+](=O)[O-])ccc1OCC(=O)NCCO[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.47
▸ MAPT P10636 5/20 0.46
▸ HIF1A Q16665 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ THPO P40225 2/20 0.46
▸ CACNA1C Q13936 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL9280838 0.89 HPGD (0.48) ADORA3MAPTHIF1AKMT2ACYP1A2
SCHEMBL7406051 0.88 ADORA3 (0.53) ADORA3MAPTHIF1AKMT2ACYP1A2
SCHEMBL7391021 0.87 ADORA3 (0.53) ADORA3MAPTHIF1AKMT2ACYP1A2
SCHEMBL7543877 0.83 MAPT (0.49) ADORA3MAPTHIF1AKMT2ACYP1A2
SCHEMBL9825000 0.82 ADORA3 (0.54) ADORA3MAPTHIF1AKMT2ACYP1A2
SCHEMBL7400294 0.81 MAPT (0.46) ADORA3MAPTHIF1AKMT2ACYP1A2
SCHEMBL11780011 0.81 ADORA3 (0.60) ADORA3MAPTHIF1AKMT2ACYP1A2
SCHEMBL10488517 0.81 ADORA3 (0.53) ADORA3MAPTHIF1AKMT2ACYP1A2
SCHEMBL10692951 0.81 ADORA3 (0.53) ADORA3MAPTHIF1AKMT2ACYP1A2
SCHEMBL9789816 0.81 RAB9A (0.55) ADORA3MAPTHIF1AKMT2ACYP1A2

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
WO-1995013812-A1 USE OF SUBSTITUTED 1,4-DIHYDROPYRIDINE TO REDUCE INTRAOCULAR PRESSURE BYK NEDERLAND BV (NL) 1995-05-26 — — WO claimed
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 — — US disclosed
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