SCHEMBL6197643

SCHEMBL6197643

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCO[C@](CCOS(C)(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
STS P08842 6/20 0.41
CCR5 P51681 4/20 0.39
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6199169 0.90 TACR2 (0.39) CCR5GAASMN1; SMN2
SCHEMBL6197638 0.90 RECQL (0.43) RECQLSTSCCR5HPGDGAA
SCHEMBL6199632 0.89 RECQL (0.47) RECQLSTSCCR5HPGD
SCHEMBL6202591 0.89 TACR2 (0.38) CCR5
SCHEMBL6196499 0.89 CCR5 (0.39) CCR5
SCHEMBL6201334 0.88 CCR5 (0.39) CCR5
SCHEMBL6196196 0.87 ALDH1A1 (0.40) CCR5
SCHEMBL8113330 0.80 TACR2 (0.35)
SCHEMBL6200549 0.79 CCR5 (0.41) CCR5
SCHEMBL7499000 0.79 CCR5 (0.41) CCR5

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