SCHEMBL25876343

SCHEMBL25876343

CNC(=O)c1cnc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.55
▸ HDAC1 Q13547 5/20 0.53
▸ JAK1 P23458 3/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ PREP P48147 2/20 0.39
▸ RET P07949 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37

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
SCHEMBL31271385 0.89 GPR119 (0.58) GPR119HDAC1JAK1CHRM2CHRM1
SCHEMBL25313293 0.87 GPR119 (0.56) GPR119HDAC1JAK1CHRM2CHRM1
SCHEMBL31271389 0.83 GPR119 (0.59) GPR119HDAC1JAK1CHRM2CHRM1
SCHEMBL25310135 0.83 GPR119 (0.59) GPR119HDAC1JAK1CHRM2CHRM1
SCHEMBL20456691 0.83 GPR119 (0.59) GPR119HDAC1JAK1CHRM2CHRM1
SCHEMBL25309533 0.83 GPR119 (0.59) GPR119HDAC1JAK1CHRM2CHRM1
SCHEMBL31271887 0.82 GPR119 (0.53) GPR119HDAC1JAK1CHRM2CHRM1
SCHEMBL31270870 0.82 GPR119 (0.56) GPR119HDAC1JAK1CHRM2CHRM1
SCHEMBL3579478 0.81 GPR119 (0.59) GPR119HDAC1JAK1CHRM2CHRM1
SCHEMBL24962970 0.81 GPR119 (0.57) GPR119HDAC1JAK1CHRM2CHRM1

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-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO disclosed
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