SCHEMBL9989678

SCHEMBL9989678

CCC(Cc1ccccc1)(C(N)=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
SIGMAR1 Q99720 3/20 0.40
SLC6A4 P31645 1/20 0.39
CHRM1 P11229 3/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSD11B1 P28845 1/20 0.37
OPRD1 P41143 4/20 0.36
HTR6 P50406 1/20 0.36
REN P00797 1/20 0.36
OPRM1 P35372 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
SCHEMBL9990046 0.81 SIGMAR1 (0.33) SIGMAR1CHRM5
SCHEMBL4558755 0.78 SIGMAR1 (0.45) KMT2ASIGMAR1SLC6A4SMN1; SMN2HIF1A
SCHEMBL9989672 0.76 KMT2A (0.43) KMT2ASIGMAR1SLC6A4CHRM1CHRM4
SCHEMBL16054555 0.76 CHRM1 (0.40) KMT2ASIGMAR1SLC6A4CHRM1CHRM4
SCHEMBL4558669 0.75 CHRM3 (0.41) KMT2ASIGMAR1CHRM1CHRM4CHRM5
SCHEMBL9989667 0.74 KMT2A (0.44) KMT2ASIGMAR1SLC6A4OPRD1HTR6
SCHEMBL4899599 0.71 CHRM3 (0.40) KMT2ASIGMAR1CHRM1CHRM4CHRM5
SCHEMBL15962304 0.69 SIGMAR1 (0.40) KMT2ASIGMAR1CHRM1CHRM4CHRM5
SCHEMBL7376522 0.69 GNAO1 (0.42) SIGMAR1
SCHEMBL27527991 0.69 SIGMAR1 (0.44) KMT2ASIGMAR1SLC6A4SMN1; SMN2ALDH1A1

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