SCHEMBL13093041

SCHEMBL13093041

O=C([C@@H]1NCC[C@H]1c1ccc2ccccc2c1)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
MC4R P32245 5/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL13093168 1.00 HDAC2 (0.42) HDAC2DPP4DPP8MC4RKDM4E
SCHEMBL13125707 0.81 SLC6A4 (0.44)
SCHEMBL13093222 0.81 MC4R (0.46) MC4RNPC1HPGDRAB9A
SCHEMBL13093265 0.81 MC4R (0.47) DPP4DPP8MC4R
SCHEMBL13093503 0.81 MC4R (0.47) DPP4DPP8MC4R
SCHEMBL13093223 0.81 MC4R (0.46) MC4RNPC1HPGDRAB9A
SCHEMBL13093032 0.79 MC4R (0.44) MC4R
SCHEMBL13093311 0.79 MC4R (0.40) MC4RHRH3
SCHEMBL13093040 0.79 MC4R (0.46) MC4RHPGD
SCHEMBL13093310 0.78 MEN1 (0.40) 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