SCHEMBL31568942

SCHEMBL31568942

CC(O)c1ccncc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
NQO2 P16083 1/20 0.44
LATS1 O95835 3/20 0.43
CYP3A4 P08684 5/20 0.43
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
NAMPT P43490 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
LATS2 Q9NRM7 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 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
SCHEMBL31569050 0.84 IDO1 (0.44) IDO1NQO2LATS1CYP3A4ACVR1B
SCHEMBL13410565 0.81 IDO1 (0.43) IDO1NQO2LATS1CYP3A4ACVR1B
SCHEMBL16692646 0.79 NAMPT (0.46) LATS1CYP3A4ACVR1BTGFBR1ACVRL1
SCHEMBL31569211 0.78 IDO1 (0.38) IDO1NQO2LATS1CYP3A4ACVR1B
SCHEMBL21594070 0.78 MTNR1B (0.42) IDO1NQO2HTTNPSR1ALDH1A1
SCHEMBL23854682 0.76 MTNR1B (0.45) IDO1NQO2HTTNPSR1ALDH1A1
SCHEMBL31421050 0.76 IDO1 (0.48) IDO1NQO2LATS1CYP3A4NAMPT
SCHEMBL27386752 0.76 CYP3A4 (0.51) IDO1LATS1CYP3A4HTTNPSR1
SCHEMBL14904858 0.75 KMT2A (0.46) IDO1NQO2NAMPTNPSR1MEN1
SCHEMBL31325727 0.75 NQO2 (0.66) IDO1NQO2LATS1CYP3A4

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-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed