SCHEMBL8412366

SCHEMBL8412366

CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccc(N)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DPP3 Q9NY33 5/20 0.47
MCL1 Q07820 2/20 0.47
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
TACR1 P25103 1/20 0.43
CCKBR P32239 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
SCHEMBL8412860 0.88 MEN1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6164208 0.88 MEN1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6164202 0.88 MEN1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8412875 0.85 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8409553 0.84 MCL1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31606500 0.84 ITGB2 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8412367 0.83 TACR1 (0.45) TACR1NR1H2
SCHEMBL6163362 0.82 TACR1 (0.50) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL6163371 0.82 TACR1 (0.50) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL27885198 0.81 ITGB2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

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-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed