SCHEMBL3844598

SCHEMBL3844598

O=C(O)N1CCNCC1c1nccs1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
ADAM17 P78536 2/20 0.34
HTR2C P28335 2/20 0.33
DRD4 P21917 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1458915 0.88 PKM (0.34) PKMADAM17HTR2CDRD4CHRM2
SCHEMBL29264392 0.81 PARP1 (0.41) PKMADAM17MAPK1
SCHEMBL2042725 0.77 PKM (0.50) PKMADAM17MAPK1
SCHEMBL2038319 0.76 PKM (0.49) PKMADAM17MAPK1
SCHEMBL2040523 0.76 PKM (0.44) PKMADAM17DRD4HSD17B10MAPK1
SCHEMBL4573023 0.74 CHRM2 (0.37) ADAM17HTR2CCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL27752387 0.74 SLC6A2 (0.45) HTR2CHTR2AHTR2B
Bromide SCHEMBL4573068 0.73 CHRM2 (0.36) PKMADAM17HTR2CCHRM2CHRM1
SCHEMBL7570449 0.73 DRD4 (0.35) DRD4
SCHEMBL30559883 0.72 USP19 (0.39) HTR2CHSD17B10HTR2AHTR2BMAOA

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-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed