SCHEMBL19785787

SCHEMBL19785787

Cc1c(N)cc(C(F)F)cc1CN1CCN(C(=O)OC(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 17/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ABHD6 Q9BV23 2/20 0.38
PLA2G7 Q13093 1/20 0.38

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
SCHEMBL19785782 0.86 MGLL (0.41) MGLLALDH1A1KDM4EPOLBABHD6
SCHEMBL19785610 0.86 VEGFA (0.42) MGLLALDH1A1KDM4EPOLB
SCHEMBL19785591 0.84 ALDH1A1 (0.44) MGLLALDH1A1KDM4EPOLBABHD6
SCHEMBL29613565 0.83 RORC (0.36) MGLL
SCHEMBL19785893 0.83 RORC (0.36) MGLL
SCHEMBL19785987 0.83 CTSB (0.46) MGLLALDH1A1KDM4EPOLB
SCHEMBL19785609 0.79 L3MBTL1 (0.50) ALDH1A1KDM4E
SCHEMBL22383759 0.75 SMN1; SMN2 (0.38) MGLLALDH1A1KDM4EPOLBABHD6
SCHEMBL22383737 0.75 MGLL (0.34) MGLLALDH1A1KDM4EPOLBABHD6
SCHEMBL19785899 0.74 LMNA (0.42)

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