SCHEMBL10277948

SCHEMBL10277948

CN(C(=O)O)C1CCN(c2ccnc(N3CCCC3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
ACACB O00763 8/20 0.46
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SORD Q00796 2/20 0.39
OPRD1 P41143 1/20 0.39
MAPK8 P45983 1/20 0.39
CDC7 O00311 1/20 0.39
NOS2 P35228 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL785317 0.84 PDE10A (0.49) GBA1ACACBHRH4HRH3
SCHEMBL27902619 0.84 ACACB (0.46) ACACBHRH4HRH3SORDOPRD1
SCHEMBL18166973 0.82 PANK3 (0.46) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL3650736 0.82 TRPV1 (0.46) HRH4HRH3SORDOPRD1
SCHEMBL803481 0.82 SIGMAR1 (0.50) GBA1ACACBHRH3NOS2
SCHEMBL27920434 0.81 ACACB (0.43) ACACBHRH4HRH3SORDOPRD1
SCHEMBL20544124 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL20544053 0.81 HCRTR1 (0.45)
SCHEMBL2330983 0.81 ADRB1 (0.53) ACACBKDM4EALDH1A1
SCHEMBL20544120 0.81 HRH3 (0.41) ACACBHRH4HRH3OPRD1

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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed