SCHEMBL7272987

SCHEMBL7272987

CC(C)c1c[c]cc(C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL14939011 0.85 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL15159201 0.63 NOS3 (0.43) NOS3NOS1NOS2
SCHEMBL20173400 0.63 NOS3 (0.43) NOS3NOS1NOS2
SCHEMBL2471472 0.61
SCHEMBL935220 0.60
SCHEMBL28469091 0.59 LMNA (0.32)
SCHEMBL3246655 0.59 CA1 (0.31)
SCHEMBL13677496 0.59 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL5950443 0.58 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL31555355 0.58 NOS3 (0.43) NOS3NOS1NOS2

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0108380-B1 PYRIDO 2,3-D PYRIDIMIN-5-ONES STERLING DRUG INC. (US) 1989-02-22 EP disclosed
EP-0095152-B1 A PROCESS FOR PREPARING NICOTINONITRILES AND INTERMEDIATES USED THEREIN STERLING DRUG INC. (US) 1986-10-22 EP disclosed
US-4590194-A 3-[methyl or dimethyl)amino]-6-(pyridinyl)pyridazines and their cardiotonic use STERLING DRUG INC. (US) 1986-05-20 US disclosed
EP-0150206-A4 PYRIDINYL-2-PYRIMIDINAMINES USEFUL AS CARDIOTONICS AND PREPARATION THEREOF. STERLING DRUG INC (US) 1986-03-18 EP disclosed
EP-0150205-A4 AD(PYRIDINYL)-2-PYRIMIDINYL BDUREAS USEFUL AS CARDIOTONICS AND PREPARATION THEREOF. STERLING DRUG INC (US) 1986-02-20 EP disclosed
US-4560753-A 2-Substituted-pyrido[2,3-d]pyrimidin-5(8H)-ones STERLING DRUG INC. (US) 1985-12-24 US disclosed
EP-0150205-A1 AD(PYRIDINYL)-2-PYRIMIDINYL BDUREAS USEFUL AS CARDIOTONICS AND PREPARATION THEREOF STERLING DRUG INC. (US) 1985-08-07 EP disclosed
EP-0150206-A1 PYRIDINYL-2-PYRIMIDINAMINES USEFUL AS CARDIOTONICS AND PREPARATION THEREOF STERLING DRUG INC. (US) 1985-08-07 EP disclosed
EP-0075116-B1 PROCESS FOR PREPARING 1,2-DIHYDRO-6-METHYL-2-OXO-5-(PYRIDINYL)NICOTINONITRILES STERLING DRUG INC. (US) 1985-05-22 EP disclosed
US-4512993-A 4(Or 5)-(pyridinyl)-2-pyrimidinamines and cardiotonic use thereof STERLING DRUG INC. (US) 1985-04-23 US disclosed
US-4107315-A 5-(Pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1978-08-15 US disclosed
US-4107167-A Alkyl α-[3-(pyridyl)-anilinomethylene]acetoacetates STERLING DRUG INC. (US) 1978-08-15 US disclosed
US-4086233-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-04-25 US disclosed
US-4072746-A CARDIOTONIC AGENTS STERLING DRUG INC. (US) 1978-02-07 US disclosed
US-4053475-A ANTI-ALLERGIC AGENTS STERLING DRUG INC. (US) 1977-10-11 US disclosed
US-4032523-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-06-28 US disclosed
US-4018770-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-04-19 US disclosed
US-4008235-A ANTIALLERGIC STERLING DRUG INC. (US) 1977-02-15 US disclosed
US-4004012-A 3-Cyano-5-(pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1977-01-18 US disclosed
US-3992380-A 5,8-Dihydro-5-oxo-2-(4-or 3-pyridinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acids and esters STERLING DRUG INC. (US) 1976-11-16 US disclosed