SCHEMBL31336809

SCHEMBL31336809

COc1ccc(-c2c(C=O)nn(C)c2C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.37
PDE2A O00408 3/20 0.36
PDE10A Q9Y233 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TNKS O95271 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IGF1R P08069 1/20 0.34
CYP2A6 P11509 1/20 0.34
TNF P01375 1/20 0.33
SPR P35270 1/20 0.33
PTGER4 P35408 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
NTRK1 P04629 1/20 0.32

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
SCHEMBL31336880 0.80 PDE2A (0.39) RXFP1PDE2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL31336740 0.77 POLB (0.50) POLBRXFP1SMN1; SMN2ALDH1A1TNKS
SCHEMBL31336818 0.75 TGFBR1 (0.37) RXFP1PDE10ASMN1; SMN2ALDH1A1TNKS
SCHEMBL31336658 0.73 ALDH1A1 (0.39) RXFP1PDE2APDE10ASMN1; SMN2ALDH1A1
SCHEMBL31336831 0.72 CCR1 (0.33) POLBPDE2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL31336886 0.72 POLB (0.40) POLBRXFP1SMN1; SMN2ALDH1A1TNKS
SCHEMBL31336634 0.71 PDE2A (0.35) RXFP1PDE2ANPC1
SCHEMBL29320318 0.70 SMN1; SMN2 (0.39) RXFP1PDE2APDE10ASMN1; SMN2ALDH1A1
SCHEMBL15258007 0.69 ALDH1A1 (0.57) RXFP1SMN1; SMN2ALDH1A1TNKSNPC1
SCHEMBL3147993 0.69 CA12 (0.50) RXFP1ALDH1A1TNKSNPC1RAB9A

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 2 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