SCHEMBL31336623

SCHEMBL31336623

Cc1c(-c2cnccn2)c(C(=O)OC(C)(C)C)nn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KLK3 P07288 1/20 0.31
HSD11B1 P28845 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 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
SCHEMBL31336692 0.81 KDM4E (0.39) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL31336792 0.80 GABRA1 (0.38) CNR1CNR2
SCHEMBL19207114 0.79 HCRTR1 (0.39) MEN1KMT2AGPR119ALDH1A1CNR1
SCHEMBL31336798 0.79 GABRA1 (0.40) KMT2ARAB9ACNR1CNR2KDM4E
SCHEMBL31336886 0.78 POLB (0.40) GPR119ALDH1A1NPC1RAB9ACNR1
SCHEMBL31336727 0.77 GPBAR1 (0.37) MEN1KMT2AGPR119ALDH1A1CNR1
SCHEMBL31336839 0.73 CYP11B2 (0.36) CNR1CNR2CYP2C9CYP2C19NPSR1
SCHEMBL31336717 0.71 GABRA5 (0.38) ALDH1A1CNR1CNR2
SCHEMBL19207123 0.69 KMT2A (0.48) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL31336689 0.68 HCRTR1 (0.37) CNR1CNR2

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-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed