SCHEMBL6527466

SCHEMBL6527466

COC(=O)C1CCOc2ccc(CN)cc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.38
ENPP2 Q13822 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
BDKRB1 P46663 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL5846752 1.00 PTGDR2 (0.38) PTGDR2ENPP2LOXL2POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5846745 0.99 PTGDR2 (0.37) PTGDR2ENPP2LOXL2POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5846749 0.99 PTGDR2 (0.37) PTGDR2ENPP2LOXL2POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL6527463 0.99 PTGDR2 (0.37) PTGDR2ENPP2LOXL2POLBSMN1; SMN2
SCHEMBL6531275 0.84 SMN1; SMN2 (0.56) PTGDR2SMN1; SMN2TSHR
SCHEMBL6531271 0.84 SMN1; SMN2 (0.56) PTGDR2SMN1; SMN2TSHR
SCHEMBL5848110 0.82 STING1 (0.42) PTGDR2POLBSMN1; SMN2
SCHEMBL5848117 0.82 STING1 (0.42) PTGDR2POLBSMN1; SMN2
SCHEMBL5848113 0.82 STING1 (0.42) PTGDR2POLBSMN1; SMN2
SCHEMBL23705293 0.80 ADRA2A (0.42) PTGDR2SMN1; SMN2NPC1MAPTRAB9A

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-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed