SCHEMBL23021086

SCHEMBL23021086

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.35
▸ TP53 P04637 1/20 0.33
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30
▸ ATM Q13315 2/20 0.30
▸ PREP P48147 1/20 0.30
▸ SETD7 Q8WTS6 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL22999824 0.86 LMNA (0.34) LMNAMAPTCYP2C9ALOX15CYP2C19
SCHEMBL22999615 0.84 TP53 (0.47) GPR119TP53DDB1CRBNMAPT
SCHEMBL22999969 0.81 DDB1 (0.40) TP53DDB1CRBNMAPT
SCHEMBL23021084 0.75 GPR119 (0.38) GPR119TP53CHRM2CHRM1CHRM3
SCHEMBL22206970 0.73 MAPT (0.44) TP53LMNAMAPTCYP2C9ALOX15
SCHEMBL22206969 0.73 MAPT (0.44) TP53LMNAMAPTCYP2C9ALOX15
SCHEMBL22216336 0.73 MAPT (0.44) TP53LMNAMAPTCYP2C9ALOX15
SCHEMBL27834792 0.72 CHRM2 (0.38) GPR119CHRM2CHRM1CHRM3DDB1
SCHEMBL3061518 0.71 GPR119 (0.39) GPR119TP53CHRM2CHRM1CHRM3
SCHEMBL23907169 0.71 MAPT (0.53) TP53ATMLMNAMAPTCYP2C9

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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