SCHEMBL13685355

SCHEMBL13685355

CCNc1nc(-c2ccc(CNc3c(Cl)ccc4c3CCNCC4)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 5/20 0.50
NPC1 O15118 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
ROCK2 O75116 3/20 0.39
GSK3B P49841 2/20 0.39
AURKB Q96GD4 2/20 0.39
PIM1 P11309 1/20 0.39
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
HTR2B P41595 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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 SCHEMBL13685292 0.93 MAPT (0.44) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL13685400 0.93 RAB9A (0.41) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL2580595 0.91 RAB9A (0.46) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL13685350 0.91 MEN1 (0.39) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL12175406 0.91 ALDH1A1 (0.46) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL12175430 0.90 MAPT (0.38) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL13685359 0.89 MEN1 (0.37) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL2585554 0.88 MEN1 (0.37) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL13685351 0.88 HTR2B (0.39) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL2580330 0.88 MAPT (0.36) ALDH1A1RAB9AMAPTNPC1MEN1

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