SCHEMBL6200549

SCHEMBL6200549

CC(C)(C)OC(=O)N1CCO[C@](CCO[Si](C)(C)C(C)(C)C)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.41
KDM1A O60341 1/20 0.37
ERBB2 P04626 1/20 0.34
EPHA2 P29317 1/20 0.34
EPHB4 P54760 1/20 0.34
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34

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
SCHEMBL7499000 1.00 CCR5 (0.41) CCR5KDM1AERBB2EPHA2EPHB4
SCHEMBL7500263 0.95 CCR5 (0.40) CCR5KDM1ASLC6A2SLC6A4
SCHEMBL7502456 0.95 CCR5 (0.40) CCR5KDM1AERBB2EPHA2EPHB4
SCHEMBL7502461 0.95 CCR5 (0.40) CCR5KDM1AERBB2EPHA2EPHB4
SCHEMBL7498995 0.88 CCR5 (0.40) CCR5KDM1ASLC6A2SLC6A4
SCHEMBL6200553 0.88 CCR5 (0.40) CCR5KDM1ASLC6A2SLC6A4
SCHEMBL8185070 0.88 LMNA (0.38) CCR5SLC6A2SLC6A4
SCHEMBL7502451 0.87 CCR5 (0.40) CCR5KDM1ASLC6A2SLC6A4
SCHEMBL7502471 0.87 CCR5 (0.40) CCR5KDM1ASLC6A2SLC6A4
SCHEMBL4158586 0.86 SCD5 (0.39)

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 9 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
EP-0987269-B1 SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE SANKYO CO (JP) 2003-08-13 EP disclosed
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US disclosed
US-6362179-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS SANKYO COMPANY, LIMITED (JP) 2002-03-26 US disclosed
EP-0776893-B1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO CO (JP) 2002-02-27 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
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
EP-0987269-A1 SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE Sankyo Company Limited (JP) 2000-03-22 EP disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 EP disclosed