SCHEMBL25399731

SCHEMBL25399731

OCc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2CCCCCC2)n1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 11/20 0.71
▸ GABBR1 Q9UBS5 11/20 0.71
▸ TYRO3 Q06418 3/20 0.46
▸ AXL P30530 3/20 0.46
▸ MERTK Q12866 2/20 0.46
▸ FLT3 P36888 1/20 0.42
▸ GAS6 Q14393 1/20 0.42
▸ TRPV3 Q8NET8 2/20 0.42
▸ TRPV1 Q8NER1 2/20 0.41
▸ PIM1 P11309 1/20 0.41

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
SCHEMBL30618166 1.00 GABBR2 (0.71) GABBR2GABBR1TYRO3AXLMERTK
SCHEMBL3111419 0.83 GABBR2 (1.00) GABBR2GABBR1TYRO3AXLMERTK
SCHEMBL3118358 0.83 GABBR2 (1.00) GABBR2GABBR1TYRO3AXLMERTK
SCHEMBL3121907 0.82 GABBR2 (1.00) GABBR2GABBR1TYRO3AXLMERTK
SCHEMBL3121498 0.72 GABBR2 (0.67) GABBR2GABBR1TYRO3AXLMERTK
SCHEMBL3123882 0.72 GABBR2 (0.60) GABBR2GABBR1TYRO3AXLMERTK
SCHEMBL13268129 0.72 GABBR2 (0.79) GABBR2GABBR1TYRO3AXLMERTK
SCHEMBL3122477 0.70 GABBR2 (0.78) GABBR2GABBR1TYRO3AXLMERTK
SCHEMBL3118196 0.70 GABBR2 (0.62) GABBR2GABBR1TYRO3AXLMERTK
SCHEMBL3123747 0.69 GABBR2 (0.75) GABBR2GABBR1TYRO3AXLMERTK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178183-A1 COMBINATORIAL ACTIVATION OF GABA(B) AND ALPHA-2 ADRENERGIC RECEPTORS FOR TREATMENT OF STRESS INDUCED DEPRESSION UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-09-21 — — WO disclosed
Send feedback