SCHEMBL9990035

SCHEMBL9990035

CCN(C)C(=O)C(C)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
OPRD1 P41143 14/20 0.38
OPRM1 P35372 10/20 0.38
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
OPRK1 P41145 4/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL15615640 0.79 POLB (0.42) PKM
SCHEMBL9989670 0.76 KDM4E (0.61) OPRD1OPRM1KDM4EPKM
SCHEMBL27536506 0.75 SIGMAR1 (0.46) SIGMAR1OPRD1OPRM1CHRM5CHRM3
SCHEMBL5958440 0.74 CA2 (0.42) SIGMAR1CHRM5CHRM3
SCHEMBL6678936 0.74 SIGMAR1 (0.58) SIGMAR1OPRD1OPRM1CHRM5CHRM3
Hydrochloric Acid SCHEMBL26617092 0.73 CA2 (0.41) SIGMAR1CHRM5CHRM3
SCHEMBL2110264 0.71 SIGMAR1 (0.42) SIGMAR1OPRD1OPRM1CHRM5CHRM3
SCHEMBL10770619 0.71 SIGMAR1 (0.44) SIGMAR1OPRD1OPRM1CHRM5CHRM3
SCHEMBL13484571 0.71 SIGMAR1 (0.44) SIGMAR1OPRD1CHRM5CHRM3
SCHEMBL7591281 0.71 SIGMAR1 (0.44) SIGMAR1OPRD1OPRM1CHRM5CHRM3

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