SCHEMBL31336729

SCHEMBL31336729

Cn1cc(-c2ccc(C#N)cn2)c(C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.40
EGLN2 Q96KS0 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
EP300 Q09472 3/20 0.35
CSNK1D P48730 2/20 0.35
CSNK1E P49674 2/20 0.35
KIT P10721 1/20 0.35
GRM5 P41594 1/20 0.35
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CCNK O75909 2/20 0.34
CDK12 Q9NYV4 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
SCD5 Q86SK9 1/20 0.34

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
SCHEMBL31336703 0.83 HCRTR2 (0.37) HCRTR2EGLN2FGFR1FGFR4KDM4E
SCHEMBL31336615 0.81 CYP11B2 (0.43) EGLN2EP300
SCHEMBL19207069 0.81 CCR1 (0.43) KDM4EALDH1A1GRM5
SCHEMBL19207066 0.80 HCRTR1 (0.43) KDM4EALDH1A1L3MBTL1GRM5HPGD
SCHEMBL19207117 0.80 CSNK1D (0.44) CSNK1DCSNK1E
SCHEMBL19207050 0.77 HCRTR1 (0.45) CCNA2CDK2SCD5
SCHEMBL19207153 0.75 MAP4K4 (0.52) CSNK1DCSNK1ECCNA2CDK2
SCHEMBL16003819 0.75 CYP11B2 (0.43) EGLN2KDM4EALDH1A1L3MBTL1GRM5
SCHEMBL19207096 0.73 BRD4 (0.47) HCRTR2KDM4EL3MBTL1KDM4C
SCHEMBL25779082 0.73 TDP1 (0.37) EGLN2KDM4EALDH1A1L3MBTL1GRM5

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 6 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
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