SCHEMBL2942653

SCHEMBL2942653

O=C(O)CN1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)c1ccc(Cl)c(Cl)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HTR1A P08908 3/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL2934834 0.88 NPC1 (0.48) HPGDLMNAMAPTALDH1A1GAA
SCHEMBL2943001 0.87 MEN1 (0.39) KMT2AMEN1GAATSHR
SCHEMBL2941530 0.87 HPGD (0.43) HPGDHTR1AKMT2APOLBMEN1
SCHEMBL2940005 0.85 MGLL (0.43) HPGDKMT2AMEN1ALDH1A1GAA
SCHEMBL4037689 0.84 KMT2A (0.46) KMT2AMEN1LMNAPKMHTT
SCHEMBL2942520 0.83 CYP3A4 (0.58) HPGDPOLBLMNAALDH1A1GAA
SCHEMBL2940506 0.83 CYP3A4 (0.40) KMT2AALDH1A1GAATSHR
SCHEMBL1801910 0.83 KMT2A (0.44) HPGDHTR1AKMT2APOLBMEN1
SCHEMBL2940806 0.83 CA1 (0.56)
SCHEMBL2943099 0.82 CRBN (0.47) KMT2APOLBMAPTHTTNPSR1

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-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed