SCHEMBL19786030

SCHEMBL19786030

CCC(N)c1nnc(Nc2cc(C)cc(CN3CCN(C(=O)OC(C)C)CC3)c2C)o1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 4/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
KDM1A O60341 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PLA2G7 Q13093 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
ATM Q13315 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 0.93 MGLL (0.33) MGLLRORCALDH1A1KDM4ETSHR
SCHEMBL22383774 0.92 MGLL (0.34) MGLLRORCALDH1A1KDM4ETSHR
SCHEMBL22383731 0.92 RORC (0.38) MGLLRORCALDH1A1KDM4ETSHR
SCHEMBL22383776 0.90 RORC (0.34) MGLLRORCALDH1A1KDM4ETSHR
SCHEMBL19786079 0.88 MGLL (0.34) MGLLRORCALDH1A1KDM4ETSHR
SCHEMBL19785619 0.86 SMN1; SMN2 (0.40) MGLLRORCALDH1A1KDM4ETSHR
SCHEMBL22383780 0.84 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRTP53LMNA
SCHEMBL29613285 0.81 RORC (0.35) RORC
SCHEMBL28722514 0.81 RORC (0.35) RORC
SCHEMBL19786020 0.81 RORC (0.35) RORC

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