SCHEMBL9145271

SCHEMBL9145271

CC(CN1CCc2c([nH]c3ccccc23)C1)NC(=O)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
PRMT5 O14744 7/20 0.49
WDR77 Q9BQA1 7/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
GPX4 P36969 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 1/20 0.47

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
SCHEMBL9145368 0.81 HTR1A (0.51) HDAC1HDAC6TRPV1MEN1KMT2A
SCHEMBL9058469 0.81 HTR1A (0.51) HDAC1HDAC6TRPV1MEN1KMT2A
SCHEMBL22549325 0.75 HTR1A (0.62) HDAC1HDAC6PRMT5WDR77MEN1
SCHEMBL29423958 0.74 PRMT5 (0.69) HDAC1HDAC6PRMT5WDR77
SCHEMBL24405173 0.72 HTR1A (0.58) HDAC1HDAC6MEN1KMT2AHTR1A
SCHEMBL29228525 0.72 HDAC6 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL29411068 0.71 PRMT5 (0.63) HDAC1HDAC6PRMT5WDR77GPX4
SCHEMBL967638 0.71 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL10614344 0.71 SIGMAR1 (0.60) HTR1A
SCHEMBL13203903 0.70 HDAC6 (0.65) HDAC1HDAC6PRMT5WDR77HDAC3

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
US-5439915-A Anxiolytic agents, antidepressants; for central nervous system disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1995-08-08 US claimed