SCHEMBL31336757

SCHEMBL31336757

Cn1cc(Br)c(C(=O)OC(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 5/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 2/20 0.43
ALPL P05186 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL31336627 0.81 KMT2A (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL19256695 0.81 CYP2C9 (0.38) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL9948309 0.81 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL19207048 0.80 HTR2A (0.37) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL19207086 0.79 GABRA1 (0.35) ALDH1A1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL3142910 0.77 HTR2A (0.54) SMN1; SMN2PKMHTR2AHTR2C
SCHEMBL17375095 0.77 NPC1 (0.64) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL31711004 0.74 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL1357926 0.74 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL15885557 0.73 NPSR1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ATP53

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 4 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
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
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed