SCHEMBL7753429

SCHEMBL7753429

CN(C)CCNC(=O)C(Cc1ccc(O)cc1)NC(=O)N(CCO)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.49
OPRD1 P41143 7/20 0.49
OPRK1 P41145 7/20 0.49
GRIA1 P42261 3/20 0.46
CHRNA1 P02708 3/20 0.46
CHRNG P07510 3/20 0.46
CHRNB1 P11230 3/20 0.46
CHRND Q07001 3/20 0.46
MMP8 P22894 3/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
CTSL P07711 1/20 0.44
KIFC1 Q9BW19 1/20 0.44

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
SCHEMBL6898098 1.00 OPRM1 (0.49) OPRM1OPRD1OPRK1GRIA1CHRNA1
SCHEMBL6891324 0.95 TACR2 (0.44) MMP8KIFC1
SCHEMBL6897026 0.93 L3MBTL1 (0.48) MMP8MMP2MMP9KIFC1
SCHEMBL27538326 0.91 MMP8 (0.42) OPRM1OPRD1OPRK1GRIA1MMP8
SCHEMBL6890087 0.91 AVPR1A (0.52) OPRM1OPRD1OPRK1MMP8KIFC1
SCHEMBL6891355 0.91 KIFC1 (0.45) OPRM1OPRD1OPRK1MMP8KIFC1
SCHEMBL6898089 0.91 MMP8 (0.42) OPRM1OPRD1OPRK1GRIA1MMP8
SCHEMBL27538358 0.91 AVPR1A (0.52) OPRM1OPRD1OPRK1MMP8KIFC1
SCHEMBL6897535 0.90 KMT2A (0.51) OPRM1OPRD1MMP9CTSLKIFC1
SCHEMBL6898000 0.89 MEN1 (0.43) MMP8CTSLKIFC1

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-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP disclosed