SCHEMBL5158423

SCHEMBL5158423

Cc1cc(F)ccc1C1CNCCC1OCc1ccc(F)c(F)c1.Cc1cc(F)ccc1C1CNCCC1OCc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.48
SLC6A4 P31645 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
REN P00797 6/20 0.38
HTR2C P28335 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
DRD4 P21917 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL5156038 0.96 HTR6 (0.48) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5158824 0.94 HTR6 (0.51) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5158358 0.88 HTR6 (0.46) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5162250 0.87 REN (0.44) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5161560 0.87 SLC6A2 (0.47) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5156467 0.86 SLC6A2 (0.47) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5158767 0.86 SLC6A2 (0.46) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5161532 0.86 HTR6 (0.43) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5158432 0.85 HTR6 (0.42) HTR6SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5156808 0.84 HTR6 (0.46) HTR6SLC6A4SLC6A2SLC6A3KCNH2

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-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed