SCHEMBL30390770

SCHEMBL30390770

O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1[C@H]2CC[C@@H]1c1ccccc1C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR65 Q8IYL9 9/20 0.49
▸ CCR2 P41597 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ TSHR P16473 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ELOVL6 Q9H5J4 1/20 0.41
▸ TRPV1 Q8NER1 3/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30391954 1.00 GPR65 (0.49) GPR65CCR2KCNH2TSHRRECQL
SCHEMBL26879846 1.00 GPR65 (0.49) GPR65CCR2KCNH2TSHRRECQL
SCHEMBL30391416 0.92 TSHR (0.52) GPR65CCR2KCNH2TSHRRECQL
SCHEMBL30391423 0.92 TSHR (0.52) GPR65CCR2KCNH2TSHRRECQL
SCHEMBL26879847 0.92 TSHR (0.52) GPR65CCR2KCNH2TSHRRECQL
SCHEMBL30391270 0.92 TSHR (0.52) GPR65CCR2KCNH2TSHRRECQL
SCHEMBL30390699 0.89 GPR65 (0.48) GPR65CCR2KCNH2TSHRRECQL
SCHEMBL30391181 0.89 GPR65 (0.48) GPR65CCR2KCNH2TSHRRECQL
SCHEMBL30391848 0.89 GPR65 (0.48) GPR65CCR2KCNH2TSHRRECQL
SCHEMBL26879873 0.89 GPR65 (0.48) GPR65CCR2KCNH2TSHRRECQL

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
EP-4161642-A1 N-PHENYLAMINOCARBONYL PYRIDINO-, PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-04-12 — — EP disclosed
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