SCHEMBL31336702

SCHEMBL31336702

C[C@H](O)[C@H](NCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MME P08473 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
CD274 Q9NZQ7 5/20 0.46
PDCD1 Q15116 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
PSMB5 P28074 1/20 0.45

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
SCHEMBL7599136 1.00 ALDH1A1 (0.53) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL7293707 1.00 ALDH1A1 (0.53) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL2074599 1.00 ALDH1A1 (0.53) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL7876545 1.00 ALDH1A1 (0.53) ALDH1A1MMESIGMAR1KMT2APOLB
Hydrochloric Acid SCHEMBL28520370 0.98 ALDH1A1 (0.51) ALDH1A1MMESIGMAR1KMT2APOLB
Phosphoric Acid SCHEMBL28688921 0.94 ACP3 (0.50) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL400880 0.90 ALDH1A1 (0.56) ALDH1A1MMEKMT2AMEN1MAPT
SCHEMBL4854909 0.90 ALDH1A1 (0.50) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL14017328 0.90 ALDH1A1 (0.50) ALDH1A1MMESIGMAR1KMT2APOLB
SCHEMBL4855809 0.90 ALDH1A1 (0.50) ALDH1A1MMESIGMAR1KMT2APOLB

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