SCHEMBL6199797

SCHEMBL6199797

O=C(C1CCCCC1)N1CCO[C@](CCO)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 6/20 0.40
ALDH1A1 P00352 2/20 0.40
CCR5 P51681 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A3 Q01959 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL6199803 0.99 SLC6A2 (0.41) KMT2AMEN1SLC6A2SLC6A4ALDH1A1
SCHEMBL6201093 0.97 SLC6A2 (0.41) KMT2AMEN1SLC6A2SLC6A4ALDH1A1
SCHEMBL6199172 0.95 SLC6A2 (0.42) KMT2ASLC6A2SLC6A4CNR1
SCHEMBL6201331 0.94 KMT2A (0.38) KMT2AMEN1SLC6A2SLC6A4ALDH1A1
SCHEMBL6196495 0.93 CYP3A4 (0.38) KMT2AMEN1SLC6A2SLC6A4ALDH1A1
SCHEMBL6202589 0.91 KMT2A (0.37) KMT2AMEN1SLC6A2SLC6A4ALDH1A1
SCHEMBL6197826 0.89 KMT2A (0.38) KMT2AMEN1SLC6A2SLC6A4ALDH1A1
SCHEMBL6201334 0.85 CCR5 (0.39) KMT2AMEN1CCR5NPSR1CNR1
SCHEMBL6199632 0.84 RECQL (0.47) CCR5
SCHEMBL8118085 0.84 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3

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