SCHEMBL6314574

SCHEMBL6314574

COc1c(F)cccc1C1(C[C@](O)(CNc2cccc3ncccc23)C(F)(F)F)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.59
PGR P06401 2/20 0.53
P2RX7 Q99572 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4820213 0.84 NR3C1 (0.68) NR3C1PGRP2RX7SMN1; SMN2L3MBTL1
SCHEMBL6314576 0.84 NR3C1 (0.65) NR3C1PGRP2RX7SMN1; SMN2L3MBTL1
SCHEMBL5205603 0.81 NR3C1 (0.66) NR3C1PGRP2RX7
SCHEMBL1261042 0.75 NR3C1 (0.32) NR3C1PGR
SCHEMBL809123 0.74 NR3C1 (1.00) NR3C1PGR
SCHEMBL2143635 0.73 NR3C1 (1.00) NR3C1PGR
SCHEMBL4820195 0.72 NR3C1 (0.69) NR3C1PGR
SCHEMBL6314570 0.72 NR3C1 (0.53) NR3C1PGRP2RX7SMN1; SMN2L3MBTL1
SCHEMBL4818295 0.71 NR3C1 (0.58) NR3C1PGR
SCHEMBL14269129 0.71 NR3C1 (0.60) NR3C1PGR

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
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed