SCHEMBL4421694

SCHEMBL4421694

O=C1NC2=CCCCC2N1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1189773 0.84
SCHEMBL2904794 0.84
SCHEMBL796904 0.73 HDAC8 (0.30)
SCHEMBL789273 0.71
SCHEMBL15282895 0.67 HSD11B1 (0.31)
SCHEMBL31310637 0.67
SCHEMBL11788080 0.65 TSHR (0.33) ALDH1A1CASP1HSD17B10
SCHEMBL1137425 0.64 MAPT (0.36)
SCHEMBL11392187 0.64
SCHEMBL15209806 0.63

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-2035411-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. Astra Zeneca AB (SE) 2009-03-18 EP claimed
WO-2007142583-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. ASTRAZENECA AB (SE) 2007-12-13 WO claimed
US-6974815-B2 Hexahydro-benzimidazolone compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-13 US disclosed
US-6974815-B2 Hexahydro-benzimidazolone compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-13 US disclosed
US-20040116467-A1 Hexahydro-benzimidazolone compounds useful as anti-inflammatory agents CEREP SA (FR) 2004-06-17 US disclosed
US-20040116467-A1 Hexahydro-benzimidazolone compounds useful as anti-inflammatory agents CEREP SA (FR) 2004-06-17 US disclosed
WO-2004032861-A2 HEXAHYDRO-BENZIMIDAZOLONE COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
US-4411904-A Diphenylpropanamines, compositions thereof and use thereof WARNER-LAMBERT COMPANY (US) 1983-10-25 US disclosed
US-4364954-A NEUROLEPTIC AGENT WARNER-LAMBERT COMPANY (US) 1982-12-21 US disclosed
US-4292321-A 1,3,8-Triazaspirodecane-4-ones, pharmaceutical compositions thereof and method of use thereof WARNER-LAMBERT COMPANY (US) 1981-09-29 US disclosed
US-3992401-A MONOMERS FOR POLYESTERS CIBA-GEIGY CORPORATION (US) 1976-11-16 US disclosed
US-3939125-A CURABLE CIBA-GEIGY CORPORATION (US) 1976-02-17 US disclosed