SCHEMBL13093223

SCHEMBL13093223

O=C(C1NCCC1c1ccc(Cl)c(Cl)c1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 9/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 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
SCHEMBL13093222 1.00 MC4R (0.46) MC4RSLC6A2SLC6A4SLC6A3TSHR
SCHEMBL13093040 0.97 MC4R (0.46) MC4RSLC6A2SLC6A4SLC6A3TSHR
SCHEMBL13093032 0.90 MC4R (0.44) MC4R
SCHEMBL13093026 0.89 SLC6A3 (0.50) MC4RSLC6A2SLC6A4SLC6A3TSHR
SCHEMBL13093215 0.89 SLC6A3 (0.50) MC4RSLC6A2SLC6A4SLC6A3TSHR
SCHEMBL13093088 0.85 SLC6A2 (0.41) MC4RSLC6A2SLC6A4SLC6A3
SCHEMBL13093259 0.85 SLC6A2 (0.41) MC4RSLC6A2SLC6A4SLC6A3
SCHEMBL13093025 0.85 SLC6A3 (0.43) MC4RSLC6A2SLC6A4SLC6A3
SCHEMBL13093265 0.82 MC4R (0.47) MC4R
SCHEMBL13093503 0.82 MC4R (0.47) MC4R

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