SCHEMBL7350819

SCHEMBL7350819

COC(=O)c1nn(C2CCN(CC(=O)OC(C)(C)C)CC2)c2ccc(C=CC3CCN(C(=O)OC(C)(C)C)CC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.40
▸ CYP3A4 P08684 2/20 0.36
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ NR3C1 P04150 3/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ CTSE P14091 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R2 O00459 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PIK3R5 Q8WYR1 1/20 0.34
▸ PIK3R3 Q92569 1/20 0.34
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL7350814 1.00 GPR119 (0.40) GPR119CYP3A4CHRM2CHRM4CHRM1
SCHEMBL7351896 0.92 GPR119 (0.37) GPR119CYP3A4CHRM2CHRM4CHRM1
SCHEMBL7412242 0.92 GPR119 (0.37) GPR119CYP3A4CHRM2CHRM4CHRM1
SCHEMBL7353205 0.86 GPR119 (0.43) GPR119CYP3A4CYP2C9
SCHEMBL8817866 0.84 PIK3CA (0.36) GPR119PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL27497196 0.82 MAOB (0.34) WNT1GSK3BDYRK1A
SCHEMBL7345541 0.81 MAOB (0.37) GPR119CYP3A4CYP2C9WNT1GSK3B
SCHEMBL7349903 0.80 ELANE (0.45) GPR119CYP3A4WNT1GSK3BDYRK1A
SCHEMBL7350588 0.78 GPR119 (0.49) GPR119CYP3A4NR3C1CYP2C9BACE1
SCHEMBL7338133 0.77 GPR119 (0.46) GPR119WNT1GSK3BDYRK1AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912555-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1999-05-06 — — EP disclosed
WO-1997049699-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-31 — — WO disclosed
WO-1997049698-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-31 — — WO disclosed
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