SCHEMBL7350998

SCHEMBL7350998

CC(C)(C)OC(=O)CN1CCC(n2nc(S(C)(=O)=O)c3cc(Br)ccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.39
▸ GSK3B P49841 2/20 0.36
▸ WNT1 P04628 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ KRAS P01116 4/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CDK9 P50750 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
SCHEMBL7344659 0.86 GPR119 (0.53) GPR119CYP3A4CYP2C9
SCHEMBL8818127 0.85 GSK3B (0.37) GSK3BWNT1DYRK1AHTR4CNR1
SCHEMBL27497857 0.84 GPR119 (0.35) GPR119
SCHEMBL7345541 0.84 MAOB (0.37) GPR119GSK3BWNT1DYRK1AHTR4
SCHEMBL7369656 0.84 GSK3B (0.38) GSK3BWNT1DYRK1AHTR4CNR1
SCHEMBL7349903 0.83 ELANE (0.45) GPR119GSK3BWNT1DYRK1AHTR4
SCHEMBL27496528 0.83 GPR119 (0.37) GPR119NR1H2NR1H3CYP3A4CYP2C9
SCHEMBL7341547 0.81 GSK3B (0.36) GSK3BWNT1DYRK1AHTR4CNR1
SCHEMBL8820147 0.80 CNR2 (0.38) GSK3BWNT1DYRK1AHTR4
SCHEMBL7353205 0.80 GPR119 (0.43) GPR119CYP3A4CYP2C9

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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