SCHEMBL13685366

SCHEMBL13685366

O=C(Nc1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 2/20 0.45
GLA P06280 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
NAMPT P43490 2/20 0.38
FGFR1 P11362 1/20 0.37
FGFR4 P22455 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 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
SCHEMBL13685408 0.96 MEN1 (0.41) KMT2AMEN1LMNAGLAHSP90AA1
Succinic Acid SCHEMBL13685431 0.95 KMT2A (0.41) KMT2AMEN1LMNAGLAHSP90AA1
SCHEMBL13685321 0.95 PTPN1 (0.43) KMT2AMEN1LMNAHSP90AA1HSP90AB1
SCHEMBL2585059 0.95 PTPN1 (0.43) KMT2AMEN1LMNAHSP90AA1HSP90AB1
Succinic Acid SCHEMBL13685421 0.92 PTGDR2 (0.37) KMT2AMEN1LMNAHSP90AA1HSP90AB1
Succinic Acid SCHEMBL13685368 0.91 PTPN1 (0.39) KMT2AMEN1LMNAHSP90AA1HSP90AB1
Succinic Acid SCHEMBL2587201 0.91 PTPN1 (0.39) KMT2AMEN1LMNAHSP90AA1HSP90AB1
SCHEMBL2586316 0.89 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2HPGDHTR2A
SCHEMBL13685333 0.87 MEN1 (0.40) KMT2AMEN1HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL12160346 0.87 MEN1 (0.40) KMT2AMEN1HSP90AA1HSP90AB1SMN1; SMN2

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