SCHEMBL6840293

SCHEMBL6840293

CN1CCN(c2ncc[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HRH4 Q9H3N8 6/20 0.40
HTT P42858 1/20 0.40
HTR6 P50406 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3A P46098 3/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL300491 0.81 ALOX15 (0.41) NPC1RAB9AHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL9200760 0.79 ALOX15 (0.39) NPC1RAB9AHTT
SCHEMBL311710 0.79 BCHE (0.42) NPC1RAB9AHTTHRH3MEN1
Hydrochloric Acid SCHEMBL29375122 0.78 BCHE (0.41) NPC1RAB9AHTTHRH3MEN1
SCHEMBL3096843 0.78 KDM4E (0.48) HTR6HRH3HTR3A
SCHEMBL6904489 0.76 TP53 (0.45) HTTMEN1GAAKMT2APIM1
SCHEMBL4456263 0.76 KDM4E (0.47) HTR6HRH3HTR3A
SCHEMBL21047581 0.74 HIPK2 (0.42)
SCHEMBL5237091 0.74 HRH4 (0.47) HRH4HTTHTR6HTR3A
SCHEMBL6281359 0.73 AKT2 (0.49) HRH3MEN1KMT2AHTR3A

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-2021050913-A1 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2021-03-18 WO disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed