SCHEMBL6565734

SCHEMBL6565734

CCC1CC(N(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)CCN1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 15/20 0.55
CCR5 P51681 2/20 0.42
NR1H2 P55055 6/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RXRA P19793 1/20 0.41
VHL P40337 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
AGTR2 P50052 2/20 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
SCHEMBL6564806 0.93 NR1H3 (0.54) NR1H3CCR5NR1H2MEN1NR1I2
SCHEMBL6566799 0.89 NR1H3 (0.54) NR1H3CCR5NR1H2MEN1NR1I2
SCHEMBL6567271 0.89 NR1H3 (0.52) NR1H3NR1H2RXRANPC1HPGD
SCHEMBL6521358 0.86 NR1H3 (0.57) NR1H3CCR5NR1H2MEN1NR1I2
SCHEMBL6513593 0.84 NR1H3 (0.57) NR1H3CCR5NR1H2MEN1NR1I2
SCHEMBL6511945 0.84 NR1H3 (0.55) NR1H3CCR5NR1H2MEN1NR1I2
SCHEMBL6513607 0.83 NR1H3 (0.46) NR1H3CCR5NR1H2MEN1NR1I2
SCHEMBL6564837 0.83 NR1H3 (0.53) NR1H3NR1H2RXRA
SCHEMBL6510639 0.82 NR1H3 (0.61) NR1H3CCR5NR1H2MEN1NR1I2
SCHEMBL6515146 0.82 NR1H3 (0.55) NR1H3CCR5NR1H2MEN1NR1I2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318976-B1 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LTD (GB) 2004-11-24 EP claimed