SCHEMBL31336727

SCHEMBL31336727

Cc1c(-c2cnccc2F)c(C(=O)OC(C)(C)C)nn1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.37
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GPR119 Q8TDV5 4/20 0.33
SLC22A12 Q96S37 5/20 0.32
GRM5 P41594 1/20 0.31
PDK2 Q15119 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ACVR1B P36896 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVRL1 P37023 1/20 0.30

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
SCHEMBL31336707 0.83 GPBAR1 (0.38) GPBAR1SLC22A12GRM5POLBALDH1A1
SCHEMBL31336623 0.77 MEN1 (0.35) CNR1CNR2GPR119ALDH1A1MEN1
SCHEMBL31336798 0.76 GABRA1 (0.40) CNR1CNR2GRM5PDK2POLB
SCHEMBL31336839 0.75 CYP11B2 (0.36) CNR1CNR2
SCHEMBL31336792 0.74 GABRA1 (0.38) CNR1CNR2GRM5
SCHEMBL19207114 0.74 HCRTR1 (0.39) CNR1CNR2GPR119POLBALDH1A1
SCHEMBL31336886 0.71 POLB (0.40) CNR1CNR2GPR119POLBALDH1A1
SCHEMBL31336717 0.69 GABRA5 (0.38) CNR1CNR2GRM5PDK2ALDH1A1
SCHEMBL31336773 0.68 HCRTR1 (0.37) CNR1CNR2
SCHEMBL31336689 0.68 HCRTR1 (0.37) CNR1CNR2

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