SCHEMBL31442989

SCHEMBL31442989

COc1nc(CC(C)C)cnc1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
PDE10A Q9Y233 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PDCD1 Q15116 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AGXT P21549 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
SCHEMBL31442991 1.00 TRPM8 (0.38) TRPM8P2RX3P2RX2PDE10AALDH1A1
SCHEMBL28589009 1.00 TRPM8 (0.38) TRPM8P2RX3P2RX2PDE10AALDH1A1
SCHEMBL31442985 0.87 NOS3 (0.34) TRPM8P2RX3P2RX2PDE10AALDH1A1
SCHEMBL30505752 0.85 TRPM8 (0.37) TRPM8P2RX3P2RX2PDE10AALDH1A1
SCHEMBL29131679 0.85 TRPM8 (0.37) TRPM8P2RX3P2RX2PDE10AALDH1A1
SCHEMBL31442988 0.84 PDE10A (0.33) TRPM8PDE10APDCD1CD274
SCHEMBL16432838 0.82 NOS3 (0.36) TRPM8P2RX3P2RX2PDE10AALDH1A1
SCHEMBL28725927 0.82 TRPM8 (0.38) TRPM8P2RX3P2RX2PDE10AALDH1A1
SCHEMBL28725960 0.82 ABCB11 (0.40) TRPM8P2RX3P2RX2PDE10AALDH1A1
SCHEMBL31442994 0.81 CYP1A2 (0.39) TRPM8PDE10AALDH1A1KDM4EUSP2

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