SCHEMBL13093279

SCHEMBL13093279

CC(=O)N1CC[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.48
SLC6A3 Q01959 7/20 0.48
SLC6A2 P23975 2/20 0.48
TACR2 P21452 2/20 0.40
TACR1 P25103 2/20 0.40
TAC3 Q9UHF0 1/20 0.40
NOTUM Q6P988 1/20 0.40
MC4R P32245 2/20 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
SCHEMBL13093494 0.83 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL13092909 0.83 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL13092908 0.83 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL5657812 0.80 ITGA4 (0.44) TACR1MC4R
SCHEMBL5972730 0.80 ITGA4 (0.44) TACR1MC4R
SCHEMBL5657809 0.80 ITGA4 (0.44) TACR1MC4R
SCHEMBL830669 0.80 POLB (0.56) SLC6A4SLC6A3SLC6A2TACR1MC4R
SCHEMBL2297284 0.80 POLB (0.56) SLC6A4SLC6A3SLC6A2TACR1MC4R
SCHEMBL830668 0.80 POLB (0.56) SLC6A4SLC6A3SLC6A2TACR1MC4R
SCHEMBL20805978 0.77 MC4R (0.51) SLC6A4SLC6A3SLC6A2MC4R

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