SCHEMBL31107652

SCHEMBL31107652

COC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
GPR119 Q8TDV5 2/20 0.50
CYP2C19 P33261 1/20 0.50
PDK2 Q15119 1/20 0.49
TSHR P16473 1/20 0.49
NAMPT P43490 1/20 0.49
P2RX7 Q99572 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR1H2 P55055 2/20 0.46
SIRT6 Q8N6T7 1/20 0.46
NR1H3 Q13133 1/20 0.46

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
SCHEMBL28695431 0.90 MAPT (0.53) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL24379384 0.90 MAPT (0.55) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL30952688 0.88 MAPT (0.55) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL21682956 0.87 MAPT (0.55) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL25232046 0.87 MAPT (0.52) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL12333908 0.85 MAPT (0.53) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL30952684 0.85 GPR119 (0.45) MEN1KMT2AGPR119NR1H2NR1H3
SCHEMBL20046718 0.85 MAPT (0.50) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL25447362 0.84 MAPT (0.60) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL21876553 0.84 MAPT (0.52) MAPTLMNAALDH1A1MEN1KMT2A

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-2024215817-A1 NOVEL 5-CYCLOPROYLQUINOLINE DERIVATIVES AS PLPRO INHIBITORS PFIZER INC. (US) 2024-10-17 WO disclosed