SCHEMBL14102642

SCHEMBL14102642

CCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCCCCC(=O)NCc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.59
▸ CHRNB2 P17787 1/20 0.56
▸ CHRNB4 P30926 1/20 0.56
▸ CHRNA3 P32297 1/20 0.56
▸ CHRNA4 P43681 1/20 0.56
▸ GRIA1 P42261 1/20 0.56
▸ PSMB5 P28074 2/20 0.53
▸ FAAH O00519 4/20 0.53
▸ CHRND Q07001 3/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ CNR2 P34972 1/20 0.51

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
SCHEMBL14102592 1.00 EPHX2 (0.59) EPHX2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14102844 1.00 EPHX2 (0.59) EPHX2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12148893 0.91 GRIA1 (0.66) GRIA1CHRND
SCHEMBL9519035 0.89 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL6438848 0.89 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL12324830 0.86 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL16247369 0.86 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL14103239 0.86 EPHX2 (0.49) EPHX2GRIA1PSMB5FAAH
SCHEMBL14102636 0.86 EPHX2 (0.49) EPHX2GRIA1PSMB5FAAH
SCHEMBL14102639 0.86 EPHX2 (0.49) EPHX2GRIA1PSMB5FAAH

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
WO-2008102127-A2 GEL FORMING COMPOUNDS PLIVA HRVATSKA D.O.O. (HR) 2008-08-28 — — WO disclosed
Send feedback