SCHEMBL10682419

SCHEMBL10682419

CCc1[nH]c(=O)ccc1C(=O)c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ MAOA P21397 1/20 0.39
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ PDE4D Q08499 6/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PDE4A P27815 5/20 0.34
▸ PDE4B Q07343 5/20 0.34
▸ PDE4C Q08493 5/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34

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
SCHEMBL10676916 0.86 ALDH1A1 (0.46) LMNAPDE3BPDE3APDE4DGAA
SCHEMBL10683064 0.82 NPC1 (0.50) LMNACYP1A2PDE4DCYP2C19CYP2C9
SCHEMBL10680196 0.82 PDE3B (0.58) LMNACYP1A2CYP3A4PDE3BPDE3A
SCHEMBL10680841 0.80 MAPK1 (0.45) LMNATSHRHTTGAAMAPT
SCHEMBL10675823 0.79 CDC7 (0.38) LMNACYP1A2CYP3A4MAOAPDE3B
SCHEMBL10678457 0.78 LMNA (0.40) LMNACYP1A2CYP3A4MAOAPDE3B
SCHEMBL10681929 0.77 CDC7 (0.42) LMNACYP1A2CYP3A4MAOAPDE3B
SCHEMBL10684520 0.77 UCHL1 (0.46) LMNACYP1A2CYP3A4MAOAPDE3B
SCHEMBL30202740 0.77 CDC7 (0.49) LMNACYP3A4PDE3BPDE3APDE4D
SCHEMBL10675744 0.77 DRD2 (0.38) CYP1A2CYP3A4PDE3BPDE3APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
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