SCHEMBL3411096

SCHEMBL3411096

O=C1c2ccccc2CC1Oc1ccc(Cl)cc1OC1CNC1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.69
HTR2C P28335 4/20 0.62
HTR2B P41595 3/20 0.62

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
SCHEMBL12374661 0.87 SLC6A4 (0.67) SLC6A4HTR2CHTR2B
SCHEMBL2285830 0.84 SLC6A4 (0.63) SLC6A4HTR2CHTR2B
SCHEMBL2285835 0.84 SLC6A4 (0.63) SLC6A4HTR2CHTR2B
SCHEMBL15457381 0.84 SLC6A4 (0.63) SLC6A4HTR2CHTR2B
SCHEMBL15457428 0.82 SLC6A4 (0.61) SLC6A4HTR2CHTR2B
SCHEMBL2281980 0.82 SLC6A4 (0.61) SLC6A4HTR2CHTR2B
SCHEMBL2288368 0.82 SLC6A4 (1.00) SLC6A4HTR2CHTR2B
SCHEMBL12374729 0.79 SLC6A4 (0.77) SLC6A4HTR2CHTR2B
SCHEMBL2285339 0.77 SLC6A4 (1.00) SLC6A4HTR2CHTR2B
SCHEMBL2286366 0.75 SLC6A4 (1.00) SLC6A4HTR2CHTR2B

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
US-8642583-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-02-04 US disclosed
WO-2010059393-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 WO disclosed