SCHEMBL19786079

SCHEMBL19786079

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.34
RORC P51449 3/20 0.34
KDM1A O60341 1/20 0.32
PLA2G7 Q13093 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 4/20 0.31
TSHR P16473 1/20 0.31
MAP3K11 Q16584 1/20 0.31
TP53 P04637 1/20 0.31
DHODH Q02127 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL19786025 0.92 MGLL (0.33) MGLLRORCKDM1APLA2G7ABHD6
SCHEMBL22383774 0.90 MGLL (0.34) MGLLRORCKDM1APLA2G7ABHD6
SCHEMBL22383776 0.90 RORC (0.34) MGLLRORCKDM1APLA2G7ABHD6
SCHEMBL19786030 0.88 MGLL (0.33) MGLLRORCKDM1APLA2G7ABHD6
SCHEMBL28722184 0.87 RORC (0.36) RORC
SCHEMBL19786076 0.87 RORC (0.36) RORC
SCHEMBL29613272 0.87 RORC (0.36) RORC
SCHEMBL19785619 0.86 SMN1; SMN2 (0.40) MGLLRORCKDM4EALDH1A1TSHR
SCHEMBL22383780 0.85 ALDH1A1 (0.40) KDM4EALDH1A1TSHRTP53LMNA
SCHEMBL22383737 0.83 MGLL (0.34) MGLLRORCPLA2G7ABHD6KDM4E

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