SCHEMBL11516163

SCHEMBL11516163

CC(C)C(CCCCCC(N)=O)NCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42
DPP4 P27487 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TLR2 O60603 1/20 0.39
FOLH1 Q04609 1/20 0.39

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
Zafuleptine SCHEMBL2110004 0.89 HTT (0.48) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL11519292 0.89 HTT (0.48) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL11516002 0.89 HTT (0.48) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL11519593 0.88 HTT (0.49) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL11515245 0.85 LMNA (0.49) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL11516756 0.84 HPGD (0.42) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL11520085 0.83 MEN1 (0.43) HPGDLMNAMAPK1TSHRMEN1
SCHEMBL11518505 0.82 MAPK1 (0.49) HPGDLMNAMAPK1TSHRMEN1
SCHEMBL11519570 0.78 HDAC1 (0.40) HPGDLMNAHDAC3HDAC1HDAC2
SCHEMBL11520175 0.78 TAAR1 (0.51) MEN1KMT2A

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-4154851-A ANTIDEPRESSANTS, ANTIAGRESSIVE AGENTS SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1979-05-15 US disclosed