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Sugi Predict / Compounds / SCHEMBL1620341

SCHEMBL1620341

SCHEMBL1620341

Cn1c(C(=O)NC(C(N)=O)c2ccccc2)cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 16/20 1.00
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KLRK1 P26718 2/20 0.47
▸ MICA Q29983 2/20 0.47
▸ RAET1L Q5VY80 2/20 0.47
▸ APOB P04114 1/20 0.46

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
Dirlotapide SCHEMBL37781 0.86 MTTP (1.00) MTTPKLRK1MICARAET1L
SCHEMBL4186328 0.86 MTTP (0.81) MTTP
SCHEMBL690744 0.86 MTTP (0.81) MTTP
Dirlotapide SCHEMBL691507 0.86 MTTP (1.00) MTTPKLRK1MICARAET1L
SCHEMBL3165562 0.86 MTTP (0.75) MTTPAPOB
SCHEMBL4200245 0.85 MTTP (0.74) MTTPAPOB
Water SCHEMBL4196426 0.85 MTTP (0.74) MTTPAPOB
SCHEMBL4200403 0.85 MTTP (0.74) MTTPAPOB
Potassium SCHEMBL4200253 0.85 MTTP (0.74) MTTPAPOB
Water SCHEMBL4196421 0.85 MTTP (0.74) MTTPAPOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935342-B2 Methods for treating obesity by administering a trkB antagonist RINAT NEUROSCIENCE CORP. (US) 2011-05-03 — — US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 — — US disclosed