SCHEMBL18127393

SCHEMBL18127393

O=C1CNC[C@H](Cc2ccccc2)N1Cc1cnc2ccccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 2/20 0.39
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ GGPS1 O95749 1/20 0.37
▸ FDPS P14324 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A3 Q01959 3/20 0.34
▸ HDAC1 Q13547 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
SCHEMBL18114398 0.79 SLC6A2 (0.46) GAAHCRTR1HCRTR2SLC6A2SLC6A4
SCHEMBL18127406 0.79 SLC6A2 (0.46) GAAHCRTR1HCRTR2SLC6A2SLC6A4
SCHEMBL18127116 0.77 SMN1; SMN2 (0.47) DRD4DRD3ALDH1A1KDM4EHPGD
SCHEMBL18127114 0.75 OPRK1 (0.42) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18127404 0.73 SLC6A2 (0.39) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL18127118 0.72 MEN1 (0.46) ALDH1A1KDM4EHCRTR1HCRTR2SLC6A2
SCHEMBL18126990 0.71 SLC6A2 (0.39) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL18127123 0.71 MEN1 (0.44) DRD4DRD3ALDH1A1KDM4ESLC6A2
SCHEMBL18127121 0.71 KDM4E (0.40) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18127392 0.70 GRM5 (0.42) ALDH1A1KDM4EHPGDGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016160677-A1 COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2016-10-06 — — WO disclosed
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