SCHEMBL5197817

SCHEMBL5197817

Cc1cc(C)cc(COC2Cc3ccccc3C2N2CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.42
SLC9A3 P48764 1/20 0.37
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL4121183 1.00 TACR1 (0.42) TACR1SLC9A3TAAR1
SCHEMBL5197821 1.00 TACR1 (0.42) TACR1SLC9A3TAAR1
Hydrochloric Acid SCHEMBL4136595 0.99 TACR1 (0.42) TACR1SLC9A3TAAR1
Hydrochloric Acid SCHEMBL4119582 0.99 TACR1 (0.42) TACR1SLC9A3TAAR1
Hydrochloric Acid SCHEMBL4136591 0.99 TACR1 (0.42) TACR1SLC9A3TAAR1
SCHEMBL5198838 0.87 HTR1A (0.42) TACR1SLC9A3TAAR1
SCHEMBL5198894 0.86 TACR1 (0.42) TACR1SLC9A3TAAR1
SCHEMBL4137188 0.86 TACR1 (0.42) TACR1SLC9A3TAAR1
SCHEMBL5198903 0.86 TACR1 (0.42) TACR1SLC9A3TAAR1
SCHEMBL5227414 0.86 TACR1 (0.42) TACR1SLC9A3TAAR1

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-1710240-B1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists SERVIER LAB (FR) 2007-12-05 EP disclosed
EP-1710240-A1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists Les Laboratoires Servier (FR) 2006-10-11 EP disclosed