SCHEMBL6200070

SCHEMBL6200070

CS(=O)(=O)OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CN(CC2CCCCC2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.41
TACR2 P21452 8/20 0.41

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
SCHEMBL4631739 0.83 TACR1 (0.41) TACR1TACR2
SCHEMBL4631237 0.79 CYP2D6 (0.36) TACR1
SCHEMBL6196433 0.78 TACR1 (0.42) TACR1TACR2
SCHEMBL6201334 0.73 CCR5 (0.39) TACR2
SCHEMBL4630898 0.72 TACR1 (0.44) TACR1TACR2
SCHEMBL6196499 0.72 CCR5 (0.39) TACR2
SCHEMBL6202591 0.70 TACR2 (0.38) TACR2
SCHEMBL6199169 0.69 TACR2 (0.39) TACR2
SCHEMBL7750052 0.69 TACR1 (0.40) TACR1TACR2
SCHEMBL4631772 0.69 TACR2 (0.47) TACR1TACR2

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 4 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
CN-1284070-A Alicyclic acylated heterocyclic derivatives SANKYO CO (JP) 2001-02-14 CN disclosed
EP-1048658-A1 ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES Sankyo Company Limited (JP) 2000-11-02 EP disclosed