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Sugi Predict / Compounds / SCHEMBL1721157

SCHEMBL1721157

SCHEMBL1721157

O=C(O)N[C@@]1(Cc2ccccc2)CNC[C@@H]1NC(=O)CCC(F)(F)CBr

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 2/20 0.36
▸ EPHX2 P34913 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.31
▸ MC4R P32245 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ SIGMAR1 Q99720 2/20 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
SCHEMBL1721451 0.77 AKT1 (0.37) SSTR4EPHX2SIGMAR1
SCHEMBL1720924 0.71 MC4R (0.39) SSTR4EPHX2MC4R
SCHEMBL18342304 0.71 MC4R (0.39) SSTR4EPHX2MC4R
SCHEMBL1721160 0.69 SIGMAR1 (0.43) CHRM4SIGMAR1
SCHEMBL1721155 0.69 SIGMAR1 (0.43) CHRM4SIGMAR1
SCHEMBL3475585 0.61 ADRB2 (0.36) EPHX2
Trifluoroacetic Acid SCHEMBL23275371 0.60 ALDH1A1 (0.44) SSTR4EPHX1
SCHEMBL458294 0.60 CA12 (0.39) SSTR4EPHX2
SCHEMBL16653710 0.60 ALDH1A1 (0.39) MC4R
SCHEMBL13735783 0.60 ALDH1A1 (0.39) MC4R

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
EP-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 — — EP disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 — — WO disclosed