SCHEMBL3369574

SCHEMBL3369574

O=C(O)NC1CCN(C2CCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SIGMAR1 Q99720 6/20 0.47
HRH3 Q9Y5N1 4/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ACKR3 P25106 5/20 0.43
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL23573288 0.96 POLB (0.56) POLBHSD17B10SIGMAR1HRH3MEN1
SCHEMBL22208127 0.92 POLB (0.46) POLBHSD17B10SIGMAR1HRH3MEN1
SCHEMBL4702651 0.85 POLB (0.45) POLBHSD17B10SIGMAR1HRH3
SCHEMBL3272642 0.84 SIGMAR1 (0.51) POLBHSD17B10SIGMAR1MEN1KMT2A
SCHEMBL22191535 0.84 SIGMAR1 (0.48) POLBHSD17B10SIGMAR1MEN1KMT2A
SCHEMBL15190856 0.84 SIGMAR1 (0.51) POLBHSD17B10SIGMAR1MEN1KMT2A
SCHEMBL3272638 0.84 SIGMAR1 (0.51) POLBHSD17B10SIGMAR1MEN1KMT2A
SCHEMBL21847058 0.83 ALDH1A1 (0.46) POLBHSD17B10SIGMAR1
SCHEMBL4442585 0.83 EPHX1 (0.47) POLBHSD17B10SIGMAR1HRH3ACKR3
SCHEMBL854472 0.83 HTR4 (0.45) POLBHSD17B10SIGMAR1HRH3

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
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 WO disclosed
WO-2009121812-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-10-08 WO disclosed