SCHEMBL31461666

SCHEMBL31461666

C[C@H]1CCN(C(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)[C@@H](C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 1.00
ALDH1A1 P00352 4/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 4/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
FLT3 P36888 1/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
POLB P06746 1/20 0.61
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 1/20 0.59
RCE1 Q9Y256 1/20 0.59
AMY1A P0DUB6 3/20 0.59
MGAM O43451 4/20 0.58

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
SCHEMBL23850164 1.00 RORC (1.00) RORCALDH1A1GAAMAPTNPC1
SCHEMBL23851328 0.90 RORC (1.00) RORCALDH1A1GAAMAPTNPC1
SCHEMBL31461725 0.89 RORC (0.80) RORCALDH1A1GAAMAPTNPC1
SCHEMBL31461740 0.89 RORC (0.80) RORCALDH1A1GAAMAPTNPC1
SCHEMBL31461712 0.89 RORC (0.80) RORCALDH1A1GAAMAPTNPC1
SCHEMBL31461672 0.89 RORC (0.80) RORCALDH1A1GAAMAPTNPC1
SCHEMBL31461722 0.89 RORC (0.80) RORCALDH1A1GAAMAPTNPC1
SCHEMBL31461729 0.89 RORC (0.80) RORCALDH1A1GAAMAPTNPC1
SCHEMBL31461736 0.88 RORC (0.79) RORCALDH1A1GAAMAPTNPC1
SCHEMBL31461703 0.88 RORC (0.79) RORCALDH1A1GAAMAPTNPC1

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
WO-2025097247-A1 METHOD OF TREATMENT OF FIBROSIS WITH INVERSE AGONIST OF RAR RELATED ORPHAN RECEPTORS (RORS) 11949098 CANADA INC. (CA) 2025-05-15 WO claimed
WO-2025097247-A1 METHOD OF TREATMENT OF FIBROSIS WITH INVERSE AGONIST OF RAR RELATED ORPHAN RECEPTORS (RORS) 11949098 CANADA INC. (CA) 2025-05-15 WO disclosed