SCHEMBL5227414

SCHEMBL5227414

Clc1cc(Cl)cc(COC2Cc3ccccc3C2N2CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.42
PRKG1 Q13976 4/20 0.39
SLC9A3 P48764 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
AVPR1A P37288 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
HTR6 P50406 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL5227416 1.00 TACR1 (0.42) TACR1PRKG1SLC9A3TP53MAPT
Hydrochloric Acid SCHEMBL4131113 0.99 TACR1 (0.42) TACR1PRKG1SLC9A3TP53MAPT
Hydrochloric Acid SCHEMBL4131116 0.99 TACR1 (0.42) TACR1PRKG1SLC9A3TP53MAPT
SCHEMBL5198139 0.93 TACR1 (0.37) TACR1PRKG1TAAR1
SCHEMBL5198136 0.93 TACR1 (0.37) TACR1PRKG1TAAR1
Hydrochloric Acid SCHEMBL4126780 0.92 TACR1 (0.36) TACR1PRKG1TAAR1
Hydrochloric Acid SCHEMBL4126783 0.92 TACR1 (0.36) TACR1PRKG1TAAR1
SCHEMBL5198694 0.89 TACR1 (0.42) TACR1SLC9A3TAAR1SIGMAR1
SCHEMBL4137188 0.89 TACR1 (0.42) TACR1SLC9A3TAAR1SIGMAR1
SCHEMBL4126854 0.89 TACR1 (0.42) TACR1SLC9A3TAAR1SIGMAR1

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