SCHEMBL8109487

SCHEMBL8109487

CS(=O)(=O)N1CCN(C2CN(CCCC3(c4ccc(Cl)c(Cl)c4)CCCN(S(=O)(=O)c4ccccc4)C3)C2)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 6/20 0.65
TACR1 P25103 14/20 0.63
CCR5 P51681 1/20 0.51
TACR3 P29371 1/20 0.48

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
SCHEMBL6955458 0.84 TACR2 (0.90) TACR2TACR1
SCHEMBL7951333 0.81 TACR1 (0.55) TACR2TACR1
SCHEMBL8113675 0.81 TACR2 (0.58) TACR2TACR1CCR5TACR3
SCHEMBL7955332 0.80 TACR1 (0.54) TACR2TACR1CCR5TACR3
SCHEMBL7955335 0.80 TACR1 (0.54) TACR2TACR1CCR5TACR3
SCHEMBL7137386 0.78 TACR2 (0.64) TACR2TACR1CCR5TACR3
SCHEMBL7137391 0.78 TACR2 (0.64) TACR2TACR1CCR5TACR3
SCHEMBL6953772 0.78 TACR2 (0.58) TACR2TACR1CCR5TACR3
SCHEMBL6957564 0.78 TACR2 (0.54) TACR2TACR1CCR5TACR3
SCHEMBL7137067 0.76 TACR2 (0.70) TACR2TACR1

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-1023285-A1 AZETIDINYLPROPYLPIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2000-08-02 EP claimed
WO-1999001451-A1 AZETIDINYLPROPYLPIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1999-01-14 WO claimed