SCHEMBL31336792

SCHEMBL31336792

Cc1c(-c2cc(F)ccn2)c(C(=O)OC(C)(C)C)nn1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 3/20 0.38
GABRA6 Q16445 3/20 0.38
GABRA2 P47869 2/20 0.38
GABRA4 P48169 1/20 0.38
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GRM5 P41594 5/20 0.33
JMJD6 Q6NYC1 4/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33

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
SCHEMBL31336798 0.83 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336769 0.83 JMJD6 (0.39) GRM5JMJD6
SCHEMBL31336623 0.80 MEN1 (0.35) CNR1CNR2
SCHEMBL31336886 0.78 POLB (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19207114 0.76 HCRTR1 (0.39) GABRA1GABRG2GABRB3GABRA5CNR1
SCHEMBL31336717 0.76 GABRA5 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336839 0.75 CYP11B2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31336727 0.74 GPBAR1 (0.37) CNR1CNR2GRM5
SCHEMBL31336831 0.71 CCR1 (0.33) ABL1BCR
SCHEMBL31336689 0.71 HCRTR1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3

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