SCHEMBL19786025

SCHEMBL19786025

Cc1cc(CN2CCN(C(=O)OC(C)C)CC2)c(C)c(Nc2nnc(C(N)CO)o2)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.33
RORC P51449 3/20 0.33
KDM1A O60341 1/20 0.31
PLA2G7 Q13093 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
KDM4E B2RXH2 3/20 0.30
ALDH1A1 P00352 3/20 0.30
MAP3K11 Q16584 1/20 0.30
TSHR P16473 1/20 0.30
DHODH Q02127 2/20 0.30
TP53 P04637 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 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
SCHEMBL19786030 0.93 MGLL (0.33) MGLLRORCKDM1APLA2G7ABHD6
SCHEMBL22383774 0.92 MGLL (0.34) MGLLRORCKDM1APLA2G7ABHD6
SCHEMBL19786079 0.92 MGLL (0.34) MGLLRORCKDM1APLA2G7ABHD6
SCHEMBL22383776 0.90 RORC (0.34) MGLLRORCKDM1APLA2G7ABHD6
SCHEMBL29613285 0.87 RORC (0.35) RORC
SCHEMBL19786020 0.87 RORC (0.35) RORC
SCHEMBL28722514 0.87 RORC (0.35) RORC
SCHEMBL22383731 0.85 RORC (0.38) MGLLRORCPLA2G7ABHD6KDM4E
SCHEMBL19785619 0.84 SMN1; SMN2 (0.40) MGLLRORCKDM4EALDH1A1TSHR
SCHEMBL22383780 0.82 ALDH1A1 (0.40) KDM4EALDH1A1TSHRTP53LMNA

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