SCHEMBL5732147

SCHEMBL5732147

NCCCOc1c(Cl)ccc2c1CCC(C(=O)C(F)(F)F)NC2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 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
SCHEMBL5764333 0.79 DRD2 (0.30)
SCHEMBL5792706 0.76 ATF4 (0.32)
SCHEMBL507028 0.72 ESR1 (0.44)
SCHEMBL5763530 0.72 CYP1A2 (0.34)
SCHEMBL5732501 0.70 DRD2 (0.33)
SCHEMBL506156 0.69 ESR1 (0.44)
SCHEMBL3828896 0.68 BRD4 (0.36) SCN3A
SCHEMBL5787122 0.68 HPD (0.39)
SCHEMBL5732466 0.67 MTNR1A (0.47)
SCHEMBL506274 0.67 ESR1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed