SCHEMBL3971957

SCHEMBL3971957

CCc1c[c]cc(CC)n1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
KCNH2 Q12809 1/20 0.30

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
SCHEMBL5604835 0.85
SCHEMBL1727188 0.83
SCHEMBL1188511 0.72 KCNH2 (0.57) NOS2KCNH2
SCHEMBL1186694 0.71 KCNH2 (0.61) KCNH2
SCHEMBL1188071 0.71 KCNH2 (0.61) KCNH2
SCHEMBL1187585 0.71 KCNH2 (0.61) KCNH2
SCHEMBL1187841 0.71 KCNH2 (0.61) KCNH2
SCHEMBL1188175 0.71 KCNH2 (0.61) KCNH2
SCHEMBL1187588 0.71 KCNH2 (0.61) KCNH2
SCHEMBL1187965 0.71 KCNH2 (0.61) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO disclosed
EP-2054414-A2 IMIDAZOLE AMINES AS INHIBITORS OF BETA-SECRETASE Wyeth (US) 2009-05-06 EP disclosed
WO-2008022024-A2 IMIDAZOLE AMINES AS INHIBITORS OF BETA-SECRETASE WYETH (US) 2008-02-21 WO disclosed
CN-1420881-A Beta-amino acid derivs. as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL MYERS SQUIBB PHARMACEU (US) 2003-05-28 CN disclosed
CN-1272841-A Novel lactam metalloprotease inhibitors DU PONT PHARM CO (US) 2000-11-08 CN disclosed
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-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