SCHEMBL4086500

SCHEMBL4086500

CCOC(=O)C=C1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ESR2 Q92731 1/20 0.43
OPRK1 P41145 4/20 0.43
KCNH2 Q12809 3/20 0.43
OPRM1 P35372 2/20 0.43

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
SCHEMBL1922424 0.89 KMT2A (0.42) KMT2AL3MBTL1ESR2OPRK1
SCHEMBL30686540 0.82 HTR2C (0.51) ESR2
SCHEMBL4091940 0.78 HDAC8 (0.48) KMT2AL3MBTL1OPRK1KCNH2OPRM1
SCHEMBL5690573 0.78 L3MBTL1 (0.50) KMT2AL3MBTL1ESR2
SCHEMBL17317915 0.77 ESR2 (0.44) KMT2AL3MBTL1ESR2
SCHEMBL7326311 0.77 ESR2 (0.46) ESR2OPRM1
SCHEMBL7326318 0.77 ESR2 (0.46) ESR2OPRM1
SCHEMBL7326329 0.77 ESR2 (0.46) ESR2OPRM1
SCHEMBL4579407 0.75 KMT2A (0.56) KMT2AESR2
SCHEMBL14127784 0.75 ESR2 (0.46) KMT2AL3MBTL1ESR2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009117808-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-10-01 WO disclosed
WO-2009117808-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-10-01 WO disclosed
US-5561149-A FOR NASAL ADMINISTRATION SANDOZ LTD. (CH) 1996-10-01 US disclosed
EP-0031219-B1 ANILINE DERIVATIVES BEECHAM GROUP PLC (GB) 1984-03-07 EP disclosed
US-4350691-A ANTIEMETICS BEECHAM GROUP LIMITED (GB) 1982-09-21 US disclosed
EP-0031219-A1 Aniline derivatives BEECHAM GROUP PLC (GB) 1981-07-01 EP disclosed