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Sugi Predict / Compounds / SCHEMBL16600080

SCHEMBL16600080

SCHEMBL16600080

O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC2(CC1)CN(C(=O)c1cc3cc(Cl)ccc3[nH]1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 15/20 1.00
▸ ENPP2 Q13822 1/20 0.63
▸ ATXN2 Q99700 1/20 0.63
▸ HRH4 Q9H3N8 3/20 0.53
▸ HRH3 Q9Y5N1 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HRH1 P35367 1/20 0.51

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
SCHEMBL16599835 1.00 GPR183 (1.00) GPR183ENPP2ATXN2HRH4HRH3
SCHEMBL16600221 0.95 GPR183 (0.91) GPR183ENPP2ATXN2HRH4HRH3
SCHEMBL17853006 0.93 GPR183 (0.87) GPR183ENPP2ATXN2HRH4HRH3
SCHEMBL17853012 0.88 GPR183 (0.79) GPR183ENPP2ATXN2HRH4HRH3
SCHEMBL17856076 0.86 GPR183 (1.00) GPR183ENPP2ATXN2HRH4HRH3
SCHEMBL16600067 0.86 GPR183 (1.00) GPR183ENPP2ATXN2HRH4HRH3
SCHEMBL17838634 0.86 GPR183 (1.00) GPR183ENPP2ATXN2HRH4HRH3
SCHEMBL16599808 0.85 GPR183 (0.88) GPR183ENPP2ATXN2HRH4HRH3
SCHEMBL17853000 0.82 GPR183 (0.81) GPR183ENPP2ATXN2HRH4HRH3
SCHEMBL16599449 0.81 HRH4 (0.67) GPR183HRH4HRH3MEN1KMT2A

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-2015048567-A1 SPIROCYCLIC EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 — — WO disclosed