SCHEMBL7369656

SCHEMBL7369656

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.38
▸ WNT1 P04628 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ CFD P00746 2/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ MAP3K14 Q99558 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ KRAS P01116 3/20 0.34
▸ ELANE P08246 2/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 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
SCHEMBL7341547 0.96 GSK3B (0.36) GSK3BWNT1DYRK1AHTR4CFD
SCHEMBL7349903 0.90 ELANE (0.45) GSK3BWNT1DYRK1AHTR4CNR1
SCHEMBL8818127 0.86 GSK3B (0.37) GSK3BWNT1DYRK1AHTR4CNR1
SCHEMBL8819437 0.85 ITGB3 (0.38) GSK3BCFDCNR1MAP3K14ELANE
SCHEMBL7350998 0.84 GPR119 (0.39) GSK3BWNT1DYRK1AHTR4CNR1
SCHEMBL7349538 0.81 GPR119 (0.38) —
SCHEMBL8820147 0.81 CNR2 (0.38) GSK3BWNT1DYRK1AHTR4
SCHEMBL7351896 0.80 GPR119 (0.37) CNR1
SCHEMBL7412242 0.80 GPR119 (0.37) CNR1
SCHEMBL17023809 0.80 CFD (0.41) CFDMAP3K14KRASELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1222153-A Piperidine acetic acid derivatives and their use in the treatment of thrombotic disorders GLAXO GROUP LTD (GB) 1999-07-07 — — CN disclosed
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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