SCHEMBL22999824

SCHEMBL22999824

C[C@@H]1CC(N2CCC(=O)/C(=C\N(C)C)C2=O)CCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL23021086 0.86 GPR119 (0.35) LMNAMAPTCYP2C9ALOX15CYP2C19
SCHEMBL22206969 0.79 MAPT (0.44) LMNAMAPTCYP2C9ALOX15CYP2C19
SCHEMBL22216336 0.79 MAPT (0.44) LMNAMAPTCYP2C9ALOX15CYP2C19
SCHEMBL22206970 0.79 MAPT (0.44) LMNAMAPTCYP2C9ALOX15CYP2C19
SCHEMBL23907169 0.76 MAPT (0.53) LMNAMAPTCYP2C9ALOX15CYP2C19
SCHEMBL23907181 0.76 LMNA (0.49) LMNAMAPTCYP2C9ALOX15CYP2C19
SCHEMBL22216404 0.76 LMNA (0.49) LMNAMAPTCYP2C9ALOX15CYP2C19
SCHEMBL23907167 0.76 MAPT (0.53) LMNAMAPTCYP2C9ALOX15CYP2C19
SCHEMBL22216285 0.76 MAPT (0.53) LMNAMAPTCYP2C9ALOX15CYP2C19
SCHEMBL22999615 0.72 TP53 (0.47) MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021032323-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES GALAPAGOS NV (BE) 2021-02-25 — — WO disclosed
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 — — EP disclosed
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