SCHEMBL5198136

SCHEMBL5198136

Fc1cc(Cl)cc(COC2Cc3ccccc3C2N2CCNCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.37
FAAH O00519 2/20 0.36
MGLL Q99685 1/20 0.36
TRPM5 Q9NZQ8 2/20 0.35
TRPM4 Q8TD43 1/20 0.35
PRKG1 Q13976 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL5198139 1.00 TACR1 (0.37) TACR1FAAHMGLLTRPM5TRPM4
Hydrochloric Acid SCHEMBL4126780 0.99 TACR1 (0.36) TACR1FAAHMGLLTRPM5TRPM4
Hydrochloric Acid SCHEMBL4126783 0.99 TACR1 (0.36) TACR1FAAHMGLLTRPM5TRPM4
SCHEMBL4119576 0.93 SMN1; SMN2 (0.42) FAAHMGLLPRKG1
SCHEMBL4119578 0.93 SMN1; SMN2 (0.42) FAAHMGLLPRKG1
SCHEMBL5227416 0.93 TACR1 (0.42) TACR1PRKG1TAAR1
SCHEMBL5227414 0.93 TACR1 (0.42) TACR1PRKG1TAAR1
SCHEMBL5198903 0.93 TACR1 (0.42) TACR1TAAR1
SCHEMBL4133742 0.93 TACR1 (0.42) TACR1TAAR1
SCHEMBL5198894 0.93 TACR1 (0.42) TACR1TAAR1

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 3 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
WO-2006106241-A1 PIPERAZINE DERIVATIVES AND USE THEREOF AS SEROTONIN REUPTAKE INHIBITORS OR AS NEUROKININ ANTAGONISTS LES LABORATOIRES SERVIER (FR) 2006-10-12 WO 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