SCHEMBL1439972

SCHEMBL1439972

O=C(O)C1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 1/20 0.51
▸ EGLN1 Q9GZT9 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ TRPC3 Q13507 1/20 0.48
▸ NOTUM Q6P988 5/20 0.48
▸ LMNA P02545 3/20 0.47
▸ NPY5R Q15761 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ HRH4 Q9H3N8 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
Cyclopentanamine SCHEMBL1443414 0.93 SLC6A9 (0.46) SLC6A9EGLN1MAPTTRPC3NOTUM
SCHEMBL1440170 0.90 MAPT (0.55) SLC6A9MAPTTRPC3LMNATP53
SCHEMBL1440776 0.90 MAPT (0.55) SLC6A9MAPTTRPC3LMNATP53
SCHEMBL1439951 0.84 MAPT (0.52) EGLN1MAPTTRPC3LMNANPY5R
SCHEMBL1441243 0.84 MAPT (0.52) MAPTLMNATP53
SCHEMBL1440421 0.82 PTGES (0.52) MAPTLMNATP53
SCHEMBL1440521 0.82 MAPT (0.55) MAPTLMNATP53KDM4ENPSR1
SCHEMBL1440054 0.82 PTGES (0.52) MAPTLMNATP53HPGD
SCHEMBL1440413 0.81 TP53 (0.60) MAPTLMNATP53KDM4EHPGD
SCHEMBL1443417 0.80 TP53 (0.44) SLC6A9EGLN1MAPTTRPC3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012117062-A1 PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGES-1 INIHIBITORS NOVASAID AB (SE) 2012-09-07 — — WO disclosed
WO-2012117062-A1 PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGES-1 INIHIBITORS NOVASAID AB (SE) 2012-09-07 — — WO disclosed
EP-2495244-A1 Piperidinyl benzoimidazole derivatives as mPGEs-1 inhibitors NovaSaid AB (SE) 2012-09-05 — — EP disclosed
EP-2495244-A1 Piperidinyl benzoimidazole derivatives as mPGEs-1 inhibitors NovaSaid AB (SE) 2012-09-05 — — EP disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — WO disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — WO disclosed
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