SCHEMBL13093088

SCHEMBL13093088

O=C([C@@H]1NCC[C@@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MC4R P32245 4/20 0.41
TACR1 P25103 11/20 0.41
TACR2 P21452 10/20 0.41
TAC3 Q9UHF0 4/20 0.41
TACR3 P29371 2/20 0.39

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
SCHEMBL13093259 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MC4RTACR1
SCHEMBL13093223 0.85 MC4R (0.46) SLC6A2SLC6A4SLC6A3MC4R
SCHEMBL13093040 0.85 MC4R (0.46) SLC6A2SLC6A4SLC6A3MC4R
SCHEMBL13093222 0.85 MC4R (0.46) SLC6A2SLC6A4SLC6A3MC4R
SCHEMBL13093025 0.83 SLC6A3 (0.43) SLC6A2SLC6A4SLC6A3MC4RTACR1
SCHEMBL13093026 0.82 SLC6A3 (0.50) SLC6A2SLC6A4SLC6A3MC4RTACR2
SCHEMBL13093215 0.82 SLC6A3 (0.50) SLC6A2SLC6A4SLC6A3MC4RTACR2
SCHEMBL13093274 0.77 SLC6A3 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL13093032 0.76 MC4R (0.44) MC4R
SCHEMBL13093309 0.74 SLC6A3 (0.41) SLC6A2SLC6A4SLC6A3MC4R

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