Sugi Predict

Sugi Predict / Compounds / SCHEMBL16598489

SCHEMBL16598489

SCHEMBL16598489

O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 11/20 1.00
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ GAA P10253 1/20 0.58
▸ CCR2 P41597 2/20 0.56
▸ ITGB2 P05107 2/20 0.55
▸ ICAM1 P05362 2/20 0.55
▸ ITGAL P20701 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL16598486 1.00 GPR183 (1.00) GPR183NPC1RAB9ATDP1GAA
SCHEMBL16598845 0.90 GPR183 (0.82) GPR183NPC1RAB9ATDP1
SCHEMBL16598848 0.90 GPR183 (0.82) GPR183NPC1RAB9ATDP1
SCHEMBL16600409 0.87 GPR183 (0.77) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL16600407 0.87 GPR183 (0.77) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL17938728 0.87 GPR183 (0.78) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL17938726 0.87 GPR183 (0.78) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL16614487 0.87 GPR183 (0.77) GPR183NPC1RAB9ATDP1
SCHEMBL16598548 0.83 GPR183 (1.00) GPR183GAA
SCHEMBL16598545 0.83 GPR183 (1.00) GPR183GAA

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-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 — — WO disclosed
Send feedback