SCHEMBL7371548

SCHEMBL7371548

NC(=O)c1nn(C2CCN(CC(=O)O)CC2)c2ccc(C=CC3CCNCC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.38
▸ MAOB P27338 2/20 0.37
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ CNR1 P21554 3/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TBK1 Q9UHD2 2/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ OGFRL1 Q5TC84 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL7371541 1.00 KHK (0.38) KHKMAOBPIM1PIM2ITGB3
SCHEMBL8819407 0.87 KHK (0.37) KHKPIM1PIM2ITGB3ITGA2B
SCHEMBL8819420 0.87 KHK (0.37) KHKPIM1PIM2ITGB3ITGA2B
SCHEMBL7345002 0.85 KHK (0.39) KHKMAOBHDAC1TBK1
SCHEMBL7344995 0.85 KHK (0.39) KHKMAOBHDAC1TBK1
SCHEMBL8819354 0.85 KHK (0.38) KHKMAOBPIM1PIM2HDAC1
SCHEMBL8820177 0.85 KHK (0.38) KHKMAOBPIM1PIM2ITGB3
SCHEMBL8819369 0.85 KHK (0.38) KHKMAOBPIM1PIM2HDAC1
SCHEMBL8820165 0.85 KHK (0.38) KHKMAOBPIM1PIM2ITGB3
SCHEMBL8818071 0.83 KHK (0.36) KHKPIM1PIM2

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
WO-1997049698-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-31 — — WO claimed
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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