SCHEMBL12204109

SCHEMBL12204109

Fc1ccc(COCCNC2CCCCC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 6/20 0.50
▸ HTR2A P28223 3/20 0.43
▸ HTR2C P28335 3/20 0.43
▸ SLC6A4 P31645 3/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ AGXT P21549 2/20 0.43
▸ FOXM1 Q08050 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL12204097 0.87 OPRL1 (0.49) OPRL1HTR2AHTR2CSLC6A4FOXM1
SCHEMBL12204106 0.85 IDO1 (0.48) OPRL1SLC6A4IDO1FOXM1KDM4E
SCHEMBL29045802 0.84 FOXM1 (0.61) OPRL1HTR2AHTR2CSLC6A4FOXM1
SCHEMBL12204203 0.83 FOXM1 (0.49) OPRL1HTR2AHTR2CSLC6A4FOXM1
SCHEMBL24079779 0.78 BCHE (0.59) OPRL1KDM4ESMN1; SMN2BCHEACHE
SCHEMBL22519849 0.75 IDO1 (0.51) HTR2AHTR2CSLC6A4IDO1AGXT
SCHEMBL23074690 0.75 ALDH1A1 (0.56) OPRL1KDM4EALDH1A1
SCHEMBL18313743 0.74 ALDH1A1 (0.50) HTR2AHTR2CSLC6A4KDM4EALDH1A1
SCHEMBL29045820 0.74 FOXM1 (0.61) HTR2AHTR2CSLC6A4FOXM1KDM4E
SCHEMBL19967537 0.73 KDM4E (0.39) HTR2AHTR2CSLC6A4KDM4EALDH1A1

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
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 — — EP disclosed
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