SCHEMBL4748982

SCHEMBL4748982

Cc1[c]cccc1[C@H]1CN(CCCCN(C)C)C[C@H](C(=O)c2cccc(O)c2)[C@@H]1c1cccc(F)c1C

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.32
HTR7 P34969 4/20 0.31
BCHE P06276 1/20 0.31
KDR P35968 1/20 0.31
ACHE P22303 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MC4R P32245 1/20 0.30
MC5R P33032 1/20 0.30
MC1R Q01726 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4025347 0.91 KIF11 (0.37) KIF11HTR7BCHEKDRACHE
SCHEMBL4023151 0.90 HTR7 (0.37) KIF11HTR7BCHEKDRACHE
SCHEMBL4748986 0.89 KIF11 (0.32) KIF11HTR7KDM4EALDH1A1HTR1A
SCHEMBL4019102 0.89 ACHE (0.37) KIF11HTR7BCHEKDRACHE
SCHEMBL4751959 0.89 KIF11 (0.33) KIF11HTR7BCHEKDR
SCHEMBL4751648 0.89 KIF11 (0.31) KIF11HTR7BCHEKDRMC4R
SCHEMBL4751996 0.89 KIF11 (0.31) KIF11HTR7BCHEKDRKDM4E
SCHEMBL4751647 0.89 KIF11 (0.31) KIF11HTR7BCHEKDRMC4R
SCHEMBL4749253 0.89 KIF11 (0.32) KIF11
SCHEMBL4749257 0.89 KIF11 (0.32) KIF11

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed