SCHEMBL11265638

SCHEMBL11265638

Cc1ccccc1C1CCN(Cc2[nH]c(=O)[nH]c2C(=O)c2cccnc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FABP6 P51161 1/20 0.44
▸ OPRL1 P41146 7/20 0.41
▸ KCNH2 Q12809 3/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ DRD4 P21917 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ PDE4A P27815 3/20 0.37
▸ PDE4B Q07343 3/20 0.37
▸ PDE4C Q08493 3/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ GAA P10253 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ TRPV6 Q9H1D0 1/20 0.36

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
SCHEMBL10921310 0.83 FABP6 (0.48) FABP6PDE3BPDE3APDE4APDE4B
SCHEMBL11256028 0.80 DRD4 (0.43) OPRL1KCNH2DRD4
SCHEMBL10972861 0.79 DRD4 (0.44) OPRL1KCNH2DRD4
SCHEMBL10969661 0.78 DRD4 (0.50) OPRL1KCNH2DRD4
Hydrochloric Acid SCHEMBL10915699 0.75 SIGMAR1 (0.49) DRD4CCR5GAASIGMAR1
Hydrochloric Acid SCHEMBL10917762 0.75 PDE3B (0.51) PDE3BPDE3ACCR5PDE4APDE4B
SCHEMBL7434193 0.73 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10914304 0.72 ACHE (0.44) DRD4CHRM2SIGMAR1
SCHEMBL10915707 0.71 MEN1 (0.51) KCNH2CCR5CHRM2SIGMAR1
Hydrochloric Acid SCHEMBL10921255 0.71 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064707-A1 4-(4-Phenyl-1-piperidinyl)methyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
US-4329471-A CARDIOTONICS, HYPOTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-05-11 — — US disclosed
Send feedback