SCHEMBL13768680

SCHEMBL13768680

CNc1ccc2c(c1CCCCCNC(=O)C1CCCC1)CCNCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
NAMPT P43490 1/20 0.42
NAAA Q02083 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
OPRM1 P35372 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
SLC5A1 P13866 1/20 0.35
MTNR1A P48039 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL3964060 0.86 NAMPT (0.43) GNAI3GNAO1GNAI1NAMPTNAAA
SCHEMBL3965756 0.85 NAMPT (0.42) GNAI3GNAO1GNAI1NAMPTNAAA
SCHEMBL14115859 0.81 NAMPT (0.40) GNAI3GNAO1GNAI1NAMPTNAAA
SCHEMBL14115777 0.77 HTR2A (0.42) HTR2AHTR2CHTR2BTP53HTT
SCHEMBL13768382 0.72 HTR2A (0.43) HTR2AHTR2CHTR2BOPRM1
SCHEMBL13768681 0.70 NAMPT (0.38) GNAI3GNAO1GNAI1NAMPTNAAA
SCHEMBL3961017 0.70 NAMPT (0.38) GNAI3GNAO1GNAI1NAMPTNAAA
SCHEMBL3961020 0.70 NAMPT (0.38) GNAI3GNAO1GNAI1NAMPTNAAA
SCHEMBL3966199 0.69 NAMPT (0.37) GNAI3GNAO1GNAI1NAMPTNAAA
SCHEMBL14601593 0.69 NAMPT (0.46) NAMPTNAAAMTNR1ACNR1MTNR1B

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
EP-1926712-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-07-29 EP disclosed