SCHEMBL30801704

SCHEMBL30801704

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.55
CTSL P07711 5/20 0.48
CTSS P25774 4/20 0.48
CTSB P07858 5/20 0.46
CTSK P43235 5/20 0.46
PSMB8 P28062 1/20 0.45
PSMB9 P28065 1/20 0.45
PSMB5 P28074 1/20 0.45
TGM2 P21980 1/20 0.43
PREP P48147 2/20 0.43
CAPN1 P07384 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL30801737 0.89 CCR1 (0.48) CCR1CTSLCTSSCTSBCTSK
SCHEMBL30801720 0.84 TGM2 (0.49) CCR1CTSLCTSSCTSBCTSK
SCHEMBL15937145 0.81 CTSL (0.47) CCR1CTSLCTSSCTSBCTSK
SCHEMBL30801716 0.80 CCR1 (0.51) CCR1CTSLCTSSCTSBCTSK
SCHEMBL17352410 0.79 CTSL (0.46) CCR1CTSLCTSSCTSBCTSK
SCHEMBL13502399 0.76 CTSL (0.58) CCR1CTSLCTSSCTSBCTSK
SCHEMBL28646428 0.76 P2RX7 (0.56) CCR1CTSLCTSSCTSBCTSK
SCHEMBL28646426 0.76 P2RX7 (0.56) CCR1CTSLCTSSCTSBCTSK
SCHEMBL9096307 0.74 CTSB (0.71) CCR1CTSLCTSSCTSBCTSK
SCHEMBL9096301 0.74 CTSB (0.71) CCR1CTSLCTSSCTSBCTSK

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