SCHEMBL14601593

SCHEMBL14601593

O=C(NCCCCCc1c(Cl)ccc2c1CCN(C(=O)O)CC2)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
CNR1 P21554 2/20 0.39
NAAA Q02083 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
CCR3 P51677 1/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37

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
SCHEMBL3965006 0.87 NPC1 (0.42) NAMPTDRD2DRD3CNR1
SCHEMBL14115682 0.85 NAMPT (0.40) NAMPTDRD2DRD3CNR1MTNR1A
SCHEMBL3964060 0.83 NAMPT (0.43) NAMPTCNR1NAAAMTNR1AMTNR1B
SCHEMBL3965756 0.82 NAMPT (0.42) NAMPTCNR1NAAAMTNR1AMTNR1B
SCHEMBL14601596 0.81 NAMPT (0.40) NAMPTDRD2DRD3MTNR1AMTNR1B
SCHEMBL14115859 0.79 NAMPT (0.40) NAMPTCNR1NAAAMTNR1AMTNR1B
SCHEMBL13748572 0.74 PNMT (0.41)
SCHEMBL14115777 0.74 HTR2A (0.42) MTNR1AMTNR1B
SCHEMBL3970338 0.70 NAMPT (0.38) NAMPTDRD2DRD3CNR1MTNR1A
SCHEMBL14091686 0.70 NAMPT (0.38) NAMPTDRD2DRD3CNR1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007028131-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed