SCHEMBL31442985

SCHEMBL31442985

COc1nc(CC(C)C)cnc1CCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
PDCD1 Q15116 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 1/20 0.31
PDE10A Q9Y233 2/20 0.30
ALDH1A1 P00352 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 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
SCHEMBL28589009 0.87 TRPM8 (0.38) NOS3NOS1NOS2TRPM8PDCD1
SCHEMBL31442991 0.87 TRPM8 (0.38) NOS3NOS1NOS2TRPM8PDCD1
SCHEMBL31442989 0.87 TRPM8 (0.38) NOS3NOS1NOS2TRPM8PDCD1
SCHEMBL31442988 0.85 PDE10A (0.33) TRPM8PDCD1CD274PDE10A
SCHEMBL31442994 0.81 CYP1A2 (0.39) TRPM8ESR1PDE10AALDH1A1
SCHEMBL31442992 0.81 CYP1A2 (0.39) TRPM8ESR1PDE10AALDH1A1
SCHEMBL29131679 0.80 TRPM8 (0.37) NOS3NOS1NOS2TRPM8ESR1
SCHEMBL30505752 0.80 TRPM8 (0.37) NOS3NOS1NOS2TRPM8ESR1
SCHEMBL16432838 0.77 NOS3 (0.36) NOS3NOS1NOS2TRPM8PDE10A
SCHEMBL16431612 0.76 PDCD1 (0.35) NOS3NOS1NOS2TRPM8PDCD1

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
WO-2025088173-A1 PYRAZINE DERIVATIVES AS BIOCONTROL AND SPRINGTAIL ATTRACTANT AGENTS FOR CONTROLLING FUNGAL DISEASES IN CEREALS MUSEUM NATIONAL D'HISTOIRE NATURELLE (FR) 2025-05-01 WO claimed
WO-2025088253-A1 PYRAZINE DERIVATIVES AS BIOCONTROL AND SPRINGTAIL ATTRACTANT AGENTS FOR CONTROLLING FUNGAL DISEASES IN CEREALS MUSÉUM NATIONAL D'HISTOIRE NATURELLE (FR) 2025-05-01 WO claimed
WO-2025088173-A1 PYRAZINE DERIVATIVES AS BIOCONTROL AND SPRINGTAIL ATTRACTANT AGENTS FOR CONTROLLING FUNGAL DISEASES IN CEREALS MUSEUM NATIONAL D'HISTOIRE NATURELLE (FR) 2025-05-01 WO disclosed
WO-2025088253-A1 PYRAZINE DERIVATIVES AS BIOCONTROL AND SPRINGTAIL ATTRACTANT AGENTS FOR CONTROLLING FUNGAL DISEASES IN CEREALS MUSÉUM NATIONAL D'HISTOIRE NATURELLE (FR) 2025-05-01 WO disclosed