SCHEMBL8654362

SCHEMBL8654362

CCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCC(NC(=O)c4cc(Cl)ccc4OC)CC3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DRD4 P21917 4/20 0.38
▸ HTR4 Q13639 4/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38

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
SCHEMBL8651963 0.91 CNR1 (0.40) KMT2ADRD4DRD2DRD3CNR1
SCHEMBL8648475 0.86 CCR3 (0.39) TP53SMN1; SMN2DRD2CNR1CNR2
SCHEMBL8717983 0.86 CCR3 (0.43) MEN1KMT2AL3MBTL1DRD2CNR1
SCHEMBL8485533 0.85 NPSR1 (0.42) MEN1KMT2ADRD2DRD3HTR2A
SCHEMBL8655291 0.84 CNR1 (0.38) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL8712537 0.84 CCR3 (0.43) MEN1KMT2AL3MBTL1DRD2CNR1
SCHEMBL8484454 0.83 NPSR1 (0.42) MEN1KMT2ADRD2DRD3HTR2A
SCHEMBL8665515 0.82 CCR3 (0.41) L3MBTL1DRD2CCR3LMNAMAPT
SCHEMBL8713180 0.82 CKS1B (0.41) DRD2CNR1CNR2
SCHEMBL8654368 0.82 DRD2 (0.38) KMT2ADRD4HTR4DRD2DRD3

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-5712279-A Inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY (US) 1998-01-27 — — US disclosed
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