SCHEMBL30801720

SCHEMBL30801720

O=C(N[C@@H](CO)C(=O)N1CCC2(CC1)CNC2=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.49
CCR1 P32246 1/20 0.48
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
CTSL P07711 7/20 0.44
CTSK P43235 8/20 0.44
CTSS P25774 4/20 0.44
CTSB P07858 2/20 0.44

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
SCHEMBL30801704 0.84 CCR1 (0.55) TGM2CCR1CTSLCTSKCTSS
SCHEMBL21987912 0.76 P2RX7 (0.52) TGM2CCR1ITGB3ITGA2BCTSL
SCHEMBL21987911 0.76 P2RX7 (0.52) TGM2CCR1ITGB3ITGA2BCTSL
SCHEMBL30101231 0.76 P2RX7 (0.51) TGM2CCR1CTSLCTSKCTSS
SCHEMBL30801737 0.76 CCR1 (0.48) CCR1CTSLCTSKCTSSCTSB
SCHEMBL11257246 0.74 TACR1 (0.63) TGM2CTSLCTSKCTSSCTSB
SCHEMBL11257249 0.74 TACR1 (0.63) TGM2CTSLCTSKCTSSCTSB
SCHEMBL9819722 0.74 ITGB3 (0.52) TGM2ITGB3ITGA2B
SCHEMBL10997466 0.74 CTSK (0.54) TGM2CTSLCTSKCTSSCTSB
SCHEMBL21981478 0.74 CTSK (0.57) CCR1CTSLCTSKCTSSCTSB

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-2024054919-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (CN) 2024-03-14 WO disclosed