SCHEMBL7365604

SCHEMBL7365604

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Br)ccc1OCCO[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ CYP1A2 P05177 7/20 0.48
▸ ADORA3 P0DMS8 6/20 0.48
▸ CYP3A4 P08684 6/20 0.48
▸ CYP2C9 P11712 6/20 0.48
▸ CYP2C19 P33261 6/20 0.48
▸ CACNA1C Q13936 4/20 0.48
▸ TSHR P16473 4/20 0.48
▸ NFKB1 P19838 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ HIF1A Q16665 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ ABCC4 O15439 2/20 0.48
▸ CACNA1F O60840 2/20 0.48
▸ ABCB11 O95342 2/20 0.48
▸ ADORA2A P29274 2/20 0.48
▸ ADORA1 P30542 2/20 0.48
▸ OPRM1 P35372 2/20 0.48
▸ SCN1A P35498 2/20 0.48

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
SCHEMBL7400294 0.89 MAPT (0.46) MAPTCYP1A2ADORA3CYP3A4CYP2C9
SCHEMBL9280838 0.88 HPGD (0.48) MAPTCYP1A2ADORA3CYP3A4CYP2C9
SCHEMBL7406051 0.88 ADORA3 (0.53) MAPTCYP1A2ADORA3CYP3A4CYP2C9
SCHEMBL9248478 0.85 ADORA3 (0.61) MAPTCYP1A2ADORA3CYP3A4CYP2C9
SCHEMBL7390505 0.81 MAPT (0.56) MAPTTSHRKDM4EHSD17B10POLB
SCHEMBL7445246 0.80 ADORA3 (0.60) MAPTCYP1A2ADORA3CYP3A4CYP2C9
SCHEMBL7365819 0.79 CYP1A2 (0.58) MAPTCYP1A2ADORA3CYP3A4CYP2C9
SCHEMBL7393785 0.79 CYP1A2 (0.58) MAPTCYP1A2ADORA3CYP3A4CYP2C9
SCHEMBL7396706 0.79 CYP1A2 (0.58) MAPTCYP1A2ADORA3CYP3A4CYP2C9
SCHEMBL10692951 0.78 ADORA3 (0.53) MAPTCYP1A2ADORA3CYP3A4CYP2C9

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
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
WO-1992002503-A1 NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-02-20 — — WO disclosed
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