SCHEMBL24315987

SCHEMBL24315987

CN1CCCN(c2cnc(C(=O)O)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.43
HDAC3 O15379 2/20 0.43
PIM2 Q9P1W9 3/20 0.42
HRH4 Q9H3N8 4/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR3A P46098 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
PIM1 P11309 2/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CHEK1 O14757 1/20 0.39
FURIN P09958 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
SCHEMBL28630760 0.94 HDAC3 (0.46) HDAC3HRH4HRH3HTR3ARAB9A
SCHEMBL25666898 0.86 MAPT (0.44) HDAC3HRH3RAB9AHDAC2
SCHEMBL24315986 0.85 SMO (0.44) PRKCQHDAC3RAB9AL3MBTL1HDAC1
SCHEMBL14658665 0.84 MAPT (0.45) HDAC3HRH3RAB9AL3MBTL1HDAC2
SCHEMBL30855580 0.84 MAPT (0.45) HDAC3HRH3RAB9AL3MBTL1HDAC2
SCHEMBL30499441 0.83 HDAC3 (0.46) HDAC3HRH4HTR3ARAB9AL3MBTL1
SCHEMBL24026553 0.81 KCNJ1 (0.49) HDAC3HRH4HTR3ARAB9AL3MBTL1
SCHEMBL877503 0.78 HRH3 (0.43) HRH3
SCHEMBL5207636 0.78 RAB9A (0.53) HDAC3HRH3RAB9AL3MBTL1HDAC2
SCHEMBL25307325 0.78 KCNJ1 (0.51) HRH3RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022081872-A1 JANUS KINASE INHIBITORS GB008, INC. (US) 2022-04-21 WO disclosed
WO-2022081872-A1 JANUS KINASE INHIBITORS GB008, INC. (US) 2022-04-21 WO disclosed
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 US disclosed