SCHEMBL6981032

SCHEMBL6981032

O=C(NC(CO)CO)Oc1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.38
OPRK1 P41145 14/20 0.37
OPRL1 P41146 1/20 0.37
CCR3 P51677 1/20 0.36
OPRM1 P35372 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL6974842 0.92 OPRD1 (0.39) OPRD1OPRK1OPRL1OPRM1
SCHEMBL6967337 0.88 OPRD1 (0.39) OPRD1OPRK1OPRL1CCR3OPRM1
SCHEMBL6969796 0.88 OPRD1 (0.42) OPRD1OPRK1OPRL1CCR3OPRM1
SCHEMBL6979664 0.88 OPRD1 (0.37) OPRD1OPRK1OPRL1CCR3OPRM1
SCHEMBL6974993 0.86 CCR3 (0.41) OPRD1OPRK1OPRL1CCR3OPRM1
SCHEMBL6980433 0.86 OPRD1 (0.42) OPRD1OPRK1OPRL1CCR3OPRM1
SCHEMBL6969075 0.85 OPRD1 (0.38) OPRD1OPRK1OPRL1CCR3OPRM1
SCHEMBL6971179 0.85 OPRD1 (0.38) OPRD1OPRK1OPRL1CCR3
SCHEMBL6973063 0.85 ACKR3 (0.37) OPRD1OPRK1OPRL1CCR3OPRM1
SCHEMBL6973626 0.85 OPRD1 (0.40) OPRD1OPRK1OPRL1OPRM1

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-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP claimed