SCHEMBL2484461

SCHEMBL2484461

[CH2]C(O)C(C)N1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
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 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
OPRD1 P41143 2/20 0.30
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
SCHEMBL6408772 0.81 SMN1; SMN2 (0.36) SMN1; SMN2CHRM5CHRM3MEN1KMT2A
SCHEMBL1969997 0.81 SMN1; SMN2 (0.36) SMN1; SMN2CHRM5CHRM3MEN1KMT2A
SCHEMBL1970023 0.81 SMN1; SMN2 (0.36) SMN1; SMN2CHRM5CHRM3MEN1KMT2A
SCHEMBL28259536 0.76 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2A
SCHEMBL13667433 0.75
SCHEMBL5617 0.75
SCHEMBL1889483 0.75
SCHEMBL8373239 0.75 SMN1; SMN2 (0.38) SMN1; SMN2CHRM5CHRM3MEN1KMT2A
SCHEMBL293089 0.75
SCHEMBL27361473 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013130422-A1 COMPOSITIONS AND METHODS FOR TREATING MITOCHONDRIAL DISEASES BIOVISTA, INC. (US) 2013-09-06 WO disclosed
EP-2375900-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS USING TETRACYCLIC PYRAZINOINDOLES Biovista, Inc. (US) 2011-10-19 EP disclosed
WO-2010068867-A1 METHODS FOR TREATING MULTIPLE SCLEROSIS USING TETRACYCLIC PYRAZINOINDOLES BIOVISTA, INC. (US) 2010-06-17 WO disclosed