SCHEMBL4682986

SCHEMBL4682986

N#Cc1ccc(N(Cc2ccccc2)C2CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.62
SLC6A4 P31645 15/20 0.62
SLC6A3 Q01959 12/20 0.62
NOS2 P35228 1/20 0.56
CACNA1B Q00975 1/20 0.47
CCR5 P51681 1/20 0.45
KDM1A O60341 1/20 0.44

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
SCHEMBL4309799 0.87 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3NOS2CACNA1B
SCHEMBL4305445 0.83 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3NOS2CACNA1B
SCHEMBL4684474 0.80 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3NOS2CACNA1B
SCHEMBL4242252 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3NOS2CCR5
SCHEMBL312704 0.78 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3NOS2
SCHEMBL312406 0.78 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3NOS2
SCHEMBL27815200 0.77 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3NOS2CACNA1B
SCHEMBL4312492 0.77 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3NOS2CACNA1B
SCHEMBL4306682 0.77 NOS2 (0.62) SLC6A2SLC6A4SLC6A3NOS2
SCHEMBL10108872 0.77 SLC6A2 (0.61) 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