SCHEMBL16600409

SCHEMBL16600409

O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 16/20 0.77
▸ ENPP2 Q13822 2/20 0.54
▸ ATXN2 Q99700 2/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CCR2 P41597 1/20 0.48

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
SCHEMBL16600407 1.00 GPR183 (0.77) GPR183ENPP2ATXN2NPC1RAB9A
SCHEMBL16599938 0.92 GPR183 (0.73) GPR183ENPP2ATXN2NPC1RAB9A
SCHEMBL16599936 0.92 GPR183 (0.73) GPR183ENPP2ATXN2NPC1RAB9A
SCHEMBL16599859 0.89 GPR183 (0.66) GPR183ENPP2ATXN2NPC1RAB9A
SCHEMBL16599861 0.89 GPR183 (0.66) GPR183ENPP2ATXN2NPC1RAB9A
SCHEMBL16599931 0.89 GPR183 (0.73) GPR183ENPP2ATXN2NPC1RAB9A
SCHEMBL16599928 0.89 GPR183 (0.73) GPR183ENPP2ATXN2NPC1RAB9A
SCHEMBL16598489 0.87 GPR183 (1.00) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL16598486 0.87 GPR183 (1.00) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL16599889 0.86 GPR183 (0.77) GPR183ENPP2ATXN2

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
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