SCHEMBL6199169

SCHEMBL6199169

CS(=O)(=O)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CN(C(=O)C2CC2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.39
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
CNR1 P21554 2/20 0.36
CCR5 P51681 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6196499 0.96 CCR5 (0.39) TACR2KMT2ALMNACNR1CCR5
SCHEMBL6202591 0.96 TACR2 (0.38) TACR2KMT2ALMNACCR5SLC6A2
SCHEMBL6201334 0.95 CCR5 (0.39) TACR2KMT2ALMNACNR1CCR5
SCHEMBL6197643 0.90 RECQL (0.43) CCR5GAASMN1; SMN2
SCHEMBL8113330 0.87 TACR2 (0.35) TACR2KMT2ASLC6A2SLC6A4MEN1
SCHEMBL6197826 0.87 KMT2A (0.38) TACR2KMT2ACNR1SLC6A2SLC6A4
SCHEMBL4630697 0.85 TACR2 (0.50) TACR2
SCHEMBL6199172 0.84 SLC6A2 (0.42) TACR2KMT2ACNR1SLC6A2SLC6A4
SCHEMBL6196495 0.83 CYP3A4 (0.38) KMT2ACCR5SLC6A2SLC6A4MEN1
SCHEMBL6202589 0.83 KMT2A (0.37) KMT2ASLC6A2SLC6A4MEN1TSHR

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-1048658-B1 ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES SANKYO CO (JP) 2005-06-15 EP disclosed
US-6288059-B1 ANTIASTHMATIC, ANTIALLERGEN AGENTS; URINARY INCONTINENCE; NATURAL KILLER CELL RECEPTOR AND TACHYKININ ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 2001-09-11 US disclosed
EP-1048658-A1 ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES Sankyo Company Limited (JP) 2000-11-02 EP disclosed