SCHEMBL21729638

SCHEMBL21729638

C[S+]([O-])c1ccc2c(c1)CNC2C(=O)Nc1ccc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.42
DEGS1 O15121 1/20 0.35
NPY5R Q15761 1/20 0.34
GCG P01275 1/20 0.34
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
CCR5 P51681 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCHR1 Q99705 2/20 0.32
F10 P00742 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL21729634 0.88 RORC (0.53) RORCNPY5RL3MBTL1
SCHEMBL21729714 0.82 GHSR (0.40) RORC
SCHEMBL21729689 0.74 RORC (0.58) RORC
SCHEMBL21729690 0.74 RORC (0.58) RORC
SCHEMBL21729656 0.72 RORC (0.37) RORCGCGGCGRGIPR
SCHEMBL21729721 0.72 RORC (0.41) RORC
SCHEMBL21729657 0.71 RORC (0.41) RORC
SCHEMBL21729713 0.71 RORC (0.50) RORC
SCHEMBL21729711 0.68 CCR5 (0.38) CCR5CRHR1
SCHEMBL21723548 0.64 KDM4E (0.39) CCR5MCHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020035556-A1 NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2020-02-20 WO disclosed