SCHEMBL30390635

SCHEMBL30390635

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1[C@H]2CC[C@@H]1c1cncnc1C2

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR65 Q8IYL9 8/20 0.73
▸ TSHR P16473 1/20 0.49
▸ RECQL P46063 1/20 0.48
▸ MAPT P10636 1/20 0.46
▸ CCNC P24863 2/20 0.45
▸ CDK8 P49336 2/20 0.45
▸ KDR P35968 1/20 0.43
▸ CCR2 P41597 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRM4 Q14833 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL30390707 1.00 GPR65 (0.73) GPR65TSHRRECQLMAPTCCNC
SCHEMBL30391361 1.00 GPR65 (0.73) GPR65TSHRRECQLMAPTCCNC
SCHEMBL26880157 1.00 GPR65 (0.73) GPR65TSHRRECQLMAPTCCNC
SCHEMBL26879999 1.00 GPR65 (0.73) GPR65TSHRRECQLMAPTCCNC
SCHEMBL30390268 1.00 GPR65 (0.73) GPR65TSHRRECQLMAPTCCNC
SCHEMBL30390111 0.93 GPR65 (0.76) GPR65TSHRRECQLCCR2KCNH2
SCHEMBL26879995 0.93 GPR65 (0.76) GPR65TSHRRECQLCCR2KCNH2
SCHEMBL26880156 0.93 GPR65 (0.76) GPR65TSHRRECQLCCR2KCNH2
SCHEMBL30390910 0.93 GPR65 (0.76) GPR65TSHRRECQLCCR2KCNH2
SCHEMBL26879996 0.93 GPR65 (0.76) GPR65TSHRRECQLCCR2KCNH2

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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