SCHEMBL6164511

SCHEMBL6164511

Fc1ccc(CC2CCN(CCS)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.54
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54
BLM P54132 1/20 0.54
GRIN1 Q05586 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
OPRM1 P35372 1/20 0.53
CCR3 P51677 1/20 0.51

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
SCHEMBL5402985 0.84 PRMT3 (0.71) GRIN2BGMNNTP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL10712825 0.83 PRMT3 (0.69) GRIN2BSLC6A2SLC6A4SLC6A3OPRM1
Hydrochloric Acid SCHEMBL10714052 0.83 PRMT3 (0.69) GRIN2BSLC6A2SLC6A4SLC6A3OPRM1
Hydrochloric Acid SCHEMBL7296894 0.83 OPRM1 (0.58) GRIN2BGMNNTP53CYP3A4ALOX15
SCHEMBL6217711 0.81 PRMT3 (0.59) GRIN2BCCR3
SCHEMBL9396839 0.81 CCR3 (0.57) GRIN2BOPRM1CCR3
SCHEMBL8814613 0.81 HRH3 (0.66) GRIN2BSLC6A2SLC6A4SLC6A3CCR3
SCHEMBL11518718 0.81 CCR3 (0.73) GRIN2BCYP3A4CCR3
Bromide SCHEMBL7246497 0.80 CCR3 (0.56) GRIN2BOPRM1CCR3
SCHEMBL8302415 0.80 OPRM1 (0.51) GRIN2BGMNNTP53CYP3A4ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089735-B1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-06-08 EP disclosed
EP-1089735-A4 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-12-18 EP disclosed
US-6284774-B1 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-09-04 US disclosed
EP-1089735-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS Warner-Lambert Company LLC (US) 2001-04-11 EP disclosed
WO-2000000197-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-01-06 WO disclosed