SCHEMBL7354572

SCHEMBL7354572

NC(=O)[CH]CCCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
SOAT1 P35610 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.32
ALOX15 P16050 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
FGFR4 P22455 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4521101 0.92 FAAH (0.50) CNR1SOAT1KMT2ATP53CYP1A2
SCHEMBL1259870 0.86
SCHEMBL1289830 0.78
SCHEMBL11325457 0.78
SCHEMBL1630881 0.78
SCHEMBL10354272 0.77 CNR1 (0.46) CNR1SOAT1KMT2ATP53CYP1A2
SCHEMBL196011 0.76
SCHEMBL1629675 0.76
SCHEMBL7135912 0.76
SCHEMBL435772 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-4611075-A Preparation of 4-(α,α-dihydrocarbyl-α-cyano-methyl)phenols ETHYL CORPORATION (US) 1986-09-09 US disclosed
US-4537920-A 4H-1-benzopyrans and lubricant compositions containing same ETHYL CORPORATION (US) 1985-08-27 US disclosed
US-4487722-A Method of preparing 4-(α-hydrocarbyl-α-cyanomethyl)2,6-di-substituted phenols ETHYL CORPORATION (US) 1984-12-11 US disclosed
US-4485051-A Preparation of 4-(α-hydrocarbyl-α-cyanomethyl)-2,6-di-substituted phenols ETHYL CORPORATION (US) 1984-11-27 US disclosed
US-4483800-A Preparation of 4-(α-alkyl-α-cyano-methyl)-2,6-di-substituted phenols ETHYL CORPORATION (US) 1984-11-20 US disclosed
US-4481368-A Process for preparing α-keto-carboxylic acids from acyl halides ETHYL CORPORATION (US) 1984-11-06 US disclosed
US-4481369-A VIA TRICARBONYL(TRIPHENYLPOSPHINE) COBALTATE ETHYL CORPORATION (US) 1984-11-06 US disclosed
US-4082517-A CYCLOPENTADIENYL MANGANESE ANTIKNOCK ETHYL CORPORATION (US) 1978-04-04 US disclosed
US-RE29488-E CYCLOPENTADIENYL MANGANESE TRICARBONYL, CARBOXYMETHOXY-SUCCINIC ACIDS ETHYL CORPORATION (US) 1977-12-06 US disclosed
US-4052171-A FUEL COMPOSITIONS AND ADDITIVE MIXTURES CONTAINING METHANETRICARBOXYLATES FOR REDUCING EXHAUST GAS CATALYST PLUGGING ETHYL CORPORATION (US) 1977-10-04 US disclosed
US-4005992-A CYCLOPENTADIENYL MAGNESIUM TRICARBONYL, OXYMETHYLENEMALONIC ACIDS OR ESTERS ETHYL CORPORATION (US) 1977-02-01 US disclosed
US-4005993-A CYCLOPENTADIENYL MANGANESE TRICARBONYL, OXYALKYL-MALONIC ACIDS OR ESTERS ETHYL CORPORATION (US) 1977-02-01 US disclosed
US-3958955-A CYCLOPENTADIENYL MANGANESE TRICARBONYL ANTIKNOCK ETHYL CORPORATION (US) 1976-05-25 US disclosed
US-3950145-A ANTIKNOCK ETHYL CORPORATION (US) 1976-04-13 US disclosed