SCHEMBL7278723

SCHEMBL7278723

COC(=O)C1=C(C)Nc2c(c(-c3ccccc3)nn2C)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.62
CACNA1C Q13936 6/20 0.62
CYP1A2 P05177 5/20 0.62
CYP3A4 P08684 4/20 0.62
MAPT P10636 4/20 0.62
CYP2C9 P11712 4/20 0.62
CYP2C19 P33261 4/20 0.62
LMNA P02545 3/20 0.62
CACNA1F O60840 3/20 0.62
CACNA1D Q01668 3/20 0.62
CACNA1S Q13698 3/20 0.62
TSHR P16473 3/20 0.62
NFKB1 P19838 3/20 0.62
KMT2A Q03164 3/20 0.62
ABCC4 O15439 2/20 0.62
ABCB11 O95342 2/20 0.62
ADORA2A P29274 2/20 0.62
ADORA1 P30542 2/20 0.62
OPRM1 P35372 2/20 0.62
SCN1A P35498 2/20 0.62

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
SCHEMBL7272365 0.91 ACHE (0.53) ADORA3CACNA1CCYP1A2CYP3A4MAPT
SCHEMBL7281470 0.90 CACNA1C (0.50) ADORA3CACNA1CCYP1A2CYP3A4MAPT
SCHEMBL7280852 0.90 KMT2A (0.49) ADORA3CACNA1CCYP1A2CYP3A4MAPT
SCHEMBL7282056 0.89 CACNA1C (0.67) ADORA3CACNA1CCYP1A2CYP3A4MAPT
SCHEMBL10377480 0.86 ADORA3 (0.46) ADORA3CACNA1CCYP1A2CYP3A4MAPT
SCHEMBL7282419 0.85 ADORA3 (0.62) ADORA3CACNA1CCYP1A2CYP3A4MAPT
SCHEMBL7282256 0.85 ADORA3 (0.62) ADORA3CACNA1CCYP1A2CYP3A4MAPT
SCHEMBL7273553 0.84 ADORA3 (0.60) ADORA3CACNA1CCYP1A2CYP3A4MAPT
SCHEMBL7271327 0.83 CACNA1C (0.60) ADORA3CACNA1CCYP1A2CYP3A4MAPT
SCHEMBL7438220 0.83 ADORA3 (0.59) ADORA3CACNA1CCYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355234-A1 Pyrazolopyridine derivatives as antiatherosclerotic and antihypercholesterolemic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-02-28 EP claimed
US-4873334-A HYPOTENSIVE AGENTS, CORONARY VASODILATORS SHIONOGI & CO., LTD. (JP) 1989-10-10 US claimed
EP-0107619-A1 Dihydropyrazolo(3,4-b)pyridine derivatives and production thereof SHIONOGI & CO., LTD. (JP) 1984-05-02 EP claimed
EP-0361382-B1 ANTIEPILEPTIC PYRAZOLOPYRIDINES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-16 EP disclosed
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed
US-4916140-A CALCIUM CHANNEL BLOCKERS MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-10 US disclosed
EP-0361382-A2 Antiepileptic pyrazolopyridines MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
US-4873334-A HYPOTENSIVE AGENTS, CORONARY VASODILATORS SHIONOGI & CO., LTD. (JP) 1989-10-10 US disclosed
EP-0107619-B1 DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES AND PRODUCTION THEREOF SHIONOGI & CO., LTD. (JP) 1987-07-29 EP disclosed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP disclosed
EP-0107619-A1 Dihydropyrazolo(3,4-b)pyridine derivatives and production thereof SHIONOGI & CO., LTD. (JP) 1984-05-02 EP disclosed