SCHEMBL30775129

SCHEMBL30775129

Cc1nc(C(=O)O)c(-c2ccccn2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.45
HCRTR1 O43613 4/20 0.45
HCRTR2 O43614 2/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PIN1 Q13526 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL19207122 1.00 KDM4E (0.54) KDM4EKMT2AALDH1A1GAAHCRTR1
SCHEMBL27312661 0.83 KDM4E (0.50) KDM4EKMT2AALDH1A1GAAADORA2A
SCHEMBL30775086 0.82 LMNA (0.58) KDM4EKMT2AALDH1A1HCRTR1HCRTR2
SCHEMBL20773742 0.82 LMNA (0.58) KDM4EKMT2AALDH1A1HCRTR1HCRTR2
SCHEMBL28453625 0.82 KDM4E (0.49) KDM4EKMT2AALDH1A1GAAADORA2A
SCHEMBL17151469 0.81 HCRTR1 (0.40) KDM4EKMT2AALDH1A1HCRTR1HCRTR2
SCHEMBL19207160 0.81 CCR1 (0.46) KDM4EKMT2AHCRTR1PIN1KDM4A
SCHEMBL19207099 0.80 CCR1 (0.46) KDM4EKMT2AHCRTR1HCRTR2PIN1
SCHEMBL30775046 0.80 CCR1 (0.46) KDM4EKMT2AHCRTR1HCRTR2PIN1
SCHEMBL80459 0.79 ALOX5 (0.61) KDM4EKMT2AALDH1A1HCRTR1HCRTR2

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 3 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
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