SCHEMBL14017802

SCHEMBL14017802

COCCCOC1CCCN(C)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL22436112 0.89 SMN1; SMN2 (0.45) SMN1; SMN2CHRM2CHRM1CHRM3NPC1
SCHEMBL14369074 0.89 SMN1; SMN2 (0.45) SMN1; SMN2CHRM2CHRM1CHRM3NPC1
SCHEMBL6042703 0.89 SMN1; SMN2 (0.35) SMN1; SMN2CHRM2CHRM1CHRM3NPC1
SCHEMBL23603064 0.81 KDM4E (0.33)
SCHEMBL12886849 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CHRM2CHRM1CHRM3NPC1
SCHEMBL16750998 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CHRM2CHRM1CHRM3NPC1
SCHEMBL12886703 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CHRM2CHRM1CHRM3NPC1
SCHEMBL24782113 0.79 SMN1; SMN2 (0.45) SMN1; SMN2CHRM2CHRM1CHRM3NPC1
SCHEMBL18912346 0.78 KMT2A (0.36) SMN1; SMN2CHRM2CHRM1CHRM3NPC1
SCHEMBL9030310 0.78 NPC1 (0.38) CHRM2CHRM1NPC1CYP2D6

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
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed