SCHEMBL9988980

SCHEMBL9988980

CCC(C(=O)C(N)=O)N1CCNC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
OPRD1 P41143 2/20 0.33
CAPN1 P07384 1/20 0.32

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
SCHEMBL4237279 0.74 CHRM5 (0.34) SIGMAR1OPRD1
SCHEMBL28716337 0.74 LMNA (0.45) LMNACA12CA1CA2CA3
SCHEMBL28706411 0.74 LMNA (0.45) LMNACA12CA1CA2CA3
SCHEMBL4058738 0.73 OPRD1 (0.33) SIGMAR1OPRD1
SCHEMBL27667325 0.71 SIGMAR1 (0.44) CA12CA1CA2CA9SIGMAR1
SCHEMBL4236955 0.69 SIGMAR1 (0.43) CA12CA1CA2CA9SIGMAR1
SCHEMBL1494478 0.69 SIGMAR1 (0.43) SIGMAR1OPRD1
SCHEMBL7590414 0.69 SIGMAR1 (0.43) SIGMAR1OPRD1
SCHEMBL6422237 0.69 SIGMAR1 (0.40) LMNASIGMAR1OPRD1
SCHEMBL22360609 0.69 SIGMAR1 (0.43) CA1CA2SIGMAR1OPRD1

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed