SCHEMBL31336796

SCHEMBL31336796

COC(=O)c1ncn(C)c1-c1ccc(OC)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GRM5 P41594 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL31336591 0.88 KDM4C (0.46) KDM5AKDM2BKDM4CKDM5BRXFP1
SCHEMBL31336658 0.75 ALDH1A1 (0.39) KDM5AKDM2BKDM4CKDM5BRXFP1
SCHEMBL22125891 0.70 KDM4E (0.38) KDM5AKDM2BKDM4CKDM5BALDH1A1
SCHEMBL31336851 0.70 KDM4E (0.35) KDM5AKDM4CKDM5BALDH1A1GRM5
SCHEMBL4468880 0.70 RXFP1 (0.66) RXFP1CA1CA2ALDH1A1KDM4E
SCHEMBL13651652 0.70 NPSR1 (0.43) ALDH1A1L3MBTL1KDM4EMAPTCYP1A2
SCHEMBL31372689 0.69 KDM4C (0.43) KDM5AKDM2BKDM4CKDM5BCA1
SCHEMBL18036133 0.68 RXFP1 (0.40) RXFP1CA1CA2KDM4EPKM
SCHEMBL3147993 0.68 CA12 (0.50) RXFP1CA1CA2ALDH1A1MAPT
SCHEMBL30335253 0.68 CA12 (0.50) RXFP1CA1CA2ALDH1A1MAPT

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