SCHEMBL19786031

SCHEMBL19786031

CCc1nnc(Nc2cc(C)cc(CN3CCN(C(=O)OC(C)C)[C@@H](C)C3)c2C)o1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.36
KCNH2 Q12809 3/20 0.35
FASN P49327 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR1 P32246 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
MGLL Q99685 1/20 0.30

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
SCHEMBL28720859 0.92 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL21368605 0.92 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL29613318 0.92 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL29613311 0.92 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL21368604 0.92 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL21368883 0.91 RORC (0.38) RORCKCNH2CCR1PTGDR2MGLL
SCHEMBL29613289 0.91 RORC (0.38) RORCKCNH2CCR1PTGDR2MGLL
SCHEMBL21368750 0.91 KCNH2 (0.36) RORCKCNH2FASNCCR1PTGDR2
SCHEMBL29613296 0.91 KCNH2 (0.36) RORCKCNH2FASNCCR1PTGDR2
SCHEMBL28722678 0.89 RORC (0.36) RORCKCNH2CCR1PTGDR2MGLL

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-3484880-B1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA AS (DK) 2020-09-02 EP disclosed
WO-2018011201-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2018-01-18 WO disclosed