SCHEMBL31336616

SCHEMBL31336616

Cc1cc(-c2ncccn2)c(C(=O)O)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MYC P01106 1/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
AGER Q15109 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 2/20 0.35
NAPRT Q6XQN6 1/20 0.35
P4HTM Q9NXG6 1/20 0.35

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
SCHEMBL31336812 0.83 ALOX15 (0.42) TDP1KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL31336808 0.75 CYP19A1 (0.35) KDM4EKMT2AMAPTALDH1A1L3MBTL1
SCHEMBL30775045 0.75 HCRTR2 (0.50) MYCKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL16030972 0.75 HCAR2 (0.42) MYCKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL264270 0.75 HCRTR2 (0.50) MYCKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL9088701 0.74 KDM4E (0.40) TDP1KDM4EKMT2AMAPTALDH1A1
Lithium SCHEMBL607039 0.73 HCRTR2 (0.49) MYCKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL607037 0.73 HCRTR2 (0.49) MYCKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL16113592 0.73 HCAR2 (0.41) MYCKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL31336815 0.72 NOS3 (0.41) CYP3A4LMNACYP1A2

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 8 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 claimed
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP claimed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO claimed
EP-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP disclosed
EP-4688155-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
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed