SCHEMBL13685359

SCHEMBL13685359

CC(C)Nc1nc(-c2ccc(CNc3c(Cl)ccc4c3CCNCC4)cc2)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
HTR2B P41595 2/20 0.37
RAB9A P51151 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 8/20 0.36
MAOB P27338 8/20 0.36
TYR P14679 1/20 0.35
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
HTR2A P28223 1/20 0.34

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
Succinic Acid SCHEMBL13685184 0.93 MEN1 (0.38) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL13685350 0.91 MEN1 (0.39) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL12175479 0.91 MEN1 (0.35) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL13685420 0.91 MEN1 (0.35) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL12175405 0.91 MEN1 (0.35) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL2580595 0.90 RAB9A (0.46) MEN1KMT2AHTR2BRAB9AMAPT
SCHEMBL13685355 0.89 ALDH1A1 (0.50) MEN1KMT2AHTR2BRAB9AMAPT
SCHEMBL2585554 0.89 MEN1 (0.37) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL13685400 0.87 RAB9A (0.41) MEN1KMT2APOLBHTR2BRAB9A
SCHEMBL12175406 0.87 ALDH1A1 (0.46) MEN1KMT2APOLBHTR2BRAB9A

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
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US claimed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 EP claimed