SCHEMBL10237646

SCHEMBL10237646

CCC(C)C(C)N1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
OPRD1 P41143 2/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL6921842 0.82 CHRM5 (0.36) SLC6A2SLC6A4OPRD1CHRM5CHRM3
SCHEMBL6921835 0.82 CHRM5 (0.36) SLC6A2SLC6A4OPRD1CHRM5CHRM3
SCHEMBL19159745 0.78 SLC6A2 (0.32) SLC6A2SLC6A4OPRD1CHRM5CHRM3
SCHEMBL11120070 0.78 OPRD1 (0.37) SLC6A2SLC6A4OPRD1CHRM5CHRM3
SCHEMBL11114473 0.78 SMN1; SMN2 (0.36) SLC6A2SLC6A4OPRD1CHRM5CHRM3
SCHEMBL14748115 0.78 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL10284434 0.76 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL2551138 0.76 KDM4E (0.37) SLC6A2SLC6A4OPRD1CHRM5CHRM3
SCHEMBL13419180 0.76 KDM4E (0.37) SLC6A2SLC6A4OPRD1CHRM5CHRM3
SCHEMBL3534793 0.76 KDM4E (0.37) SLC6A2SLC6A4OPRD1CHRM5CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565193-A1 Compositions and methods for inhibition of the JAK pathway Rigel Pharmaceuticals, Inc. (US) 2013-03-06 EP disclosed
WO-2012015972-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed