SCHEMBL30801737

SCHEMBL30801737

C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC2(CNC2=O)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.48
CTSL P07711 9/20 0.48
CTSS P25774 7/20 0.48
CTSK P43235 8/20 0.45
CTSB P07858 4/20 0.45
PSMB8 P28062 1/20 0.43
PSMB9 P28065 1/20 0.43
PSMB5 P28074 1/20 0.43
PREP P48147 2/20 0.42
CAPN1 P07384 2/20 0.42
DPP4 P27487 1/20 0.40
KCNH2 Q12809 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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 0.89 CCR1 (0.55) CCR1CTSLCTSSCTSKCTSB
SCHEMBL30801671 0.82 CCR1 (0.45) CCR1CTSLCTSSCTSKCTSB
SCHEMBL15937145 0.82 CTSL (0.47) CCR1CTSLCTSSCTSKCTSB
SCHEMBL18681567 0.82 PREP (0.48) CCR1CTSLCTSSCTSKCTSB
SCHEMBL17281441 0.77 CCR1 (0.50) CCR1CTSLCTSSCTSKCTSB
SCHEMBL17352410 0.76 CTSL (0.46) CCR1CTSLCTSSCTSKCTSB
SCHEMBL30801720 0.76 TGM2 (0.49) CCR1CTSLCTSSCTSKCTSB
SCHEMBL13502399 0.75 CTSL (0.58) CCR1CTSLCTSSCTSKCTSB
SCHEMBL7932040 0.75 CTSL (0.46) CCR1CTSLCTSSCTSKCTSB
SCHEMBL15937159 0.75 CTSL (0.48) CCR1CTSLCTSSCTSKCTSB

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