SCHEMBL28451622

SCHEMBL28451622

Cn1cccc1C(=O)NCCCC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
KMT2A Q03164 1/20 0.51
HDAC6 Q9UBN7 4/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL5657254 0.84 NPC1 (0.64) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL32689125 0.84 RAB9A (0.64) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL5655626 0.83 NPC1 (0.62) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL6988127 0.81 RAB9A (0.68) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL6358482 0.81 RAB9A (0.68) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL11717595 0.81 RAB9A (0.68) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL9282547 0.81 RAB9A (0.59) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL11722775 0.80 RAB9A (0.66) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL15208859 0.79 NPC1 (0.58) RAB9ANPC1KMT2AHDAC6HDAC3
SCHEMBL15208864 0.79 NPC1 (0.58) RAB9ANPC1KMT2AHDAC6HDAC3

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
CN-119584961-A Methods and compounds for modulating huntington's disease 设计治疗公司 2025-03-07 CN disclosed
CN-107963987-B A stachydrine derivative, its preparation method and application in preparing medicine for treating cardiovascular disease and cerebrovascular disease 青岛海洋生物医药研究院股份有限公司 2020-09-08 CN disclosed