SCHEMBL13093026

SCHEMBL13093026

O=C([C@H]1NCC[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
PKM P14618 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
MC4R P32245 5/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PHGDH O43175 1/20 0.42
TACR2 P21452 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL13093215 1.00 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4PKMKMT2A
SCHEMBL13093222 0.89 MC4R (0.46) SLC6A3SLC6A2SLC6A4KMT2AMEN1
SCHEMBL13093040 0.89 MC4R (0.46) SLC6A3SLC6A2SLC6A4TSHRMC4R
SCHEMBL13093223 0.89 MC4R (0.46) SLC6A3SLC6A2SLC6A4KMT2AMEN1
SCHEMBL13093088 0.82 SLC6A2 (0.41) SLC6A3SLC6A2SLC6A4MC4RTACR2
SCHEMBL13093259 0.82 SLC6A2 (0.41) SLC6A3SLC6A2SLC6A4MC4RTACR2
SCHEMBL13093025 0.82 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4MC4RTACR2
SCHEMBL13093310 0.81 MEN1 (0.40) KMT2AMEN1MC4R
SCHEMBL13093032 0.80 MC4R (0.44) MC4R
SCHEMBL13093274 0.78 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4

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
WO-2010123006-A1 PYRROLIDINE COMPOUND 武田薬品工業株式会社 (JP) 2010-10-28 WO disclosed