SCHEMBL30775053

SCHEMBL30775053

Cc1cnc(-c2ccc(C)nc2C(=O)O)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.42
HCRTR1 O43613 8/20 0.42
HDAC4 P56524 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL2471955 1.00 HCRTR2 (0.42) HCRTR2HCRTR1HDAC4MEN1KMT2A
SCHEMBL3387269 0.87 HCRTR2 (0.46) HCRTR2HCRTR1HDAC4HDAC1HDAC6
SCHEMBL264270 0.85 HCRTR2 (0.50) HCRTR2HCRTR1ALDH1A1KDM4ECYP3A4
SCHEMBL30775045 0.85 HCRTR2 (0.50) HCRTR2HCRTR1ALDH1A1KDM4ECYP3A4
Lithium SCHEMBL607039 0.83 HCRTR2 (0.49) HCRTR2HCRTR1ALDH1A1KDM4ECYP3A4
SCHEMBL20781141 0.83 HCRTR1 (0.38) HCRTR2HCRTR1HDAC4HDAC1HDAC6
SCHEMBL607037 0.83 HCRTR2 (0.49) HCRTR2HCRTR1ALDH1A1KDM4ECYP3A4
SCHEMBL30775081 0.83 HCRTR1 (0.47) HCRTR2HCRTR1
SCHEMBL3385652 0.83 HCRTR1 (0.47) HCRTR2HCRTR1
SCHEMBL19206989 0.81 CCR1 (0.46) HCRTR2HCRTR1ALDH1A1SMN1; SMN2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP disclosed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed
CN-111315734-B Substituted 2-azabicyclo [3.1.1] heptane and 2-azabicyclo [3.2.1] octane derivatives as orexin receptor antagonists 克罗诺斯治疗有限公司 2024-03-08 CN disclosed