SCHEMBL6508301

SCHEMBL6508301

O=C(O)N1CCNC(C(=O)N(Cc2ccccc2)C2CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.47
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
CCR5 P51681 5/20 0.42
KCNH2 Q12809 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
AGER Q15109 2/20 0.39

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
SCHEMBL5710349 0.86 JAK2 (0.55) OPRM1BCL9CTNNB1
SCHEMBL5710353 0.79 JAK2 (0.41) OPRM1CHRM2CHRM3CCR5BCL9
SCHEMBL4193616 0.75 OPRM1 (0.70) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL4285304 0.74 KMT2A (0.44) CCR5DPP8DPP7
SCHEMBL3184871 0.74 OPRM1 (0.47) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL3655587 0.73 TSHR (0.47)
SCHEMBL5710381 0.72 REN (0.46) KCNH2
SCHEMBL3370759 0.71 AGER (0.55) OPRM1CHRM2CHRM3AGER
SCHEMBL2680993 0.71 CHRM5 (0.43) OPRM1CHRM2CHRM3
SCHEMBL27849291 0.70 OPRM1 (0.55) OPRM1CHRM2CHRM3CCR5KCNH2

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-2005037803-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-04-28 WO disclosed