SCHEMBL4749094

SCHEMBL4749094

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCCCC2CCN2)CC1C(=O)[C@@H]1CN(CCCCC2CCN2)C[C@H](C(=O)c2cccc(O)c2)[C@@H]1c1cccc(F)c1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.34
HTR1A P08908 8/20 0.32
DRD1 P21728 8/20 0.32
DRD4 P21917 8/20 0.32
DRD5 P21918 8/20 0.32
DRD3 P35462 8/20 0.32
DRD2 P14416 7/20 0.31
MGLL Q99685 1/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL4774948 0.95 KDM2B (0.35) KDM2BMGLLCHRNB4CHRNA3MEN1
SCHEMBL4752024 0.88 KIF11 (0.34) KDM2BHTR1ADRD1DRD4DRD5
SCHEMBL4751290 0.88 ESRRG (0.34) KDM2BHTR1ADRD1DRD4DRD5
SCHEMBL4751355 0.88 KDM2B (0.33) KDM2BHTR1ADRD1DRD4DRD5
SCHEMBL4751349 0.88 KDM2B (0.33) KDM2BHTR1ADRD1DRD4DRD5
SCHEMBL4752015 0.88 KIF11 (0.34) KDM2BHTR1ADRD1DRD4DRD5
SCHEMBL4749105 0.87 MET (0.36) KDM2BHTR1ADRD1DRD4DRD5
SCHEMBL4751597 0.87 DRD3 (0.33) KDM2BHTR1ADRD1DRD4DRD5
SCHEMBL4749472 0.86 MGLL (0.32) KDM2BMGLLCHRNB4CHRNA3
SCHEMBL4749137 0.85 ACHE (0.35) HTR1ADRD1DRD4DRD5DRD3

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