SCHEMBL6198501

SCHEMBL6198501

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCO[C@](CCO)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.42
UCHL1 P09936 3/20 0.41
OPRK1 P41145 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
NPC1 O15118 1/20 0.39
CCR5 P51681 3/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 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
SCHEMBL6196190 0.96 ALDH1A1 (0.42) ALDH1A1HSD17B10UCHL1OPRK1HRH2
SCHEMBL6196196 0.89 ALDH1A1 (0.40) ALDH1A1HSD17B10UCHL1OPRK1HRH2
SCHEMBL6199632 0.86 RECQL (0.47) NPC1CCR5
SCHEMBL6197638 0.82 RECQL (0.43) CCR5
SCHEMBL6200553 0.80 CCR5 (0.40) CCR5
SCHEMBL7498995 0.80 CCR5 (0.40) CCR5
SCHEMBL6201093 0.80 SLC6A2 (0.41) ALDH1A1CCR5MEN1KMT2A
SCHEMBL6199803 0.80 SLC6A2 (0.41) ALDH1A1CCR5MEN1KMT2A
SCHEMBL6199172 0.79 SLC6A2 (0.42) KMT2A
SCHEMBL6199797 0.79 KMT2A (0.42) ALDH1A1CCR5NPSR1MEN1KMT2A

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-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