SCHEMBL28630760

SCHEMBL28630760

CN1CCN(c2cnc(C(=O)O)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.46
HTR3A P46098 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HDAC2 Q92769 2/20 0.42
HDAC1 Q13547 1/20 0.42
CHEK1 O14757 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL24315987 0.94 PRKCQ (0.43) HDAC3HTR3AHRH4RAB9AL3MBTL1
SCHEMBL30499441 0.88 HDAC3 (0.46) HDAC3HTR3AHRH4RAB9AL3MBTL1
SCHEMBL24026553 0.87 KCNJ1 (0.49) HDAC3HTR3AHRH4RAB9AL3MBTL1
SCHEMBL25666898 0.84 MAPT (0.44) HDAC3RAB9AHDAC2KDM4EALDH1A1
SCHEMBL877503 0.83 HRH3 (0.43) HRH3
SCHEMBL14658665 0.83 MAPT (0.45) HDAC3RAB9AL3MBTL1HDAC2KDM4E
SCHEMBL30855580 0.83 MAPT (0.45) HDAC3RAB9AL3MBTL1HDAC2KDM4E
SCHEMBL23594128 0.83 CACNA2D1 (0.45) HDAC3HRH3
SCHEMBL64138 0.83 SMO (0.47) HDAC3HTR3AHRH4RAB9AL3MBTL1
SCHEMBL1773722 0.82 ADRA1A (0.50) HDAC3HDAC2KDM4EALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075200-A JAK inhibitor compounds for the treatment of severe pneumonia 河南迈英诺医药科技有限公司 2022-02-22 CN disclosed
CN-113563345-A JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2021-10-29 CN disclosed
CN-111606908-B JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2021-08-24 CN disclosed
CN-111606908-A JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2020-09-01 CN disclosed