SCHEMBL4193347

SCHEMBL4193347

COc1cc(Br)ccc1OCC1CNCC1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.46
HTR6 P50406 4/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
GLA P06280 1/20 0.39
HTR2A P28223 1/20 0.38
SLC6A2 P23975 1/20 0.38
SSTR4 P31391 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4211817 0.77 SLC6A4 (0.44) SLC6A4HTR6GLASLC6A2
SCHEMBL4193528 0.77 SLC6A4 (0.44) SLC6A4HTR6GLASLC6A2
SCHEMBL17593113 0.73 CA1 (0.45) KDM4E
SCHEMBL17593112 0.73 CA1 (0.45) KDM4E
SCHEMBL24767003 0.72 ALDH1A1 (0.49) SLC6A4GLAKDM4ETDP1
SCHEMBL2580468 0.71 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL4572874 0.68 KDM4E (0.59) GLAKDM4ETDP1
SCHEMBL14862428 0.68 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL129918 0.68 PDE4B (0.49)
SCHEMBL30350487 0.68 PDE4B (0.49)

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-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed