SCHEMBL4684474

SCHEMBL4684474

O=C(O)c1ccc(N(Cc2ccccc2)C2CCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.56
SLC6A4 P31645 11/20 0.56
SLC6A3 Q01959 10/20 0.56
CACNA1B Q00975 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.45
NOS2 P35228 1/20 0.44
CCR5 P51681 2/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL27815200 0.90 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CACNA1BDCUN1D1
SCHEMBL4247136 0.86 CCR5 (0.51) SLC6A2SLC6A4SLC6A3CACNA1BDCUN1D1
SCHEMBL4309799 0.85 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CACNA1BNOS2
SCHEMBL4491008 0.85 OPRD1 (0.57) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL6600494 0.85 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CACNA1BCCR5
SCHEMBL4305445 0.82 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CACNA1BNOS2
SCHEMBL4682986 0.80 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CACNA1BNOS2
SCHEMBL4242082 0.78 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3811903 0.76 DCUN1D1 (0.58) SLC6A2SLC6A4SLC6A3DCUN1D1KCNH2
SCHEMBL4306682 0.76 NOS2 (0.62) SLC6A2SLC6A4SLC6A3NOS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed