SCHEMBL30390123

SCHEMBL30390123

O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@H]2CC[C@@H]1c1ccc(F)cc1C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR65 Q8IYL9 8/20 0.52
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MTOR P42345 2/20 0.41
▸ RICTOR Q6R327 2/20 0.41
▸ MAPKAP1 Q9BPZ7 2/20 0.41
▸ MLST8 Q9BVC4 2/20 0.41
▸ CCR2 P41597 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL30390605 1.00 GPR65 (0.52) GPR65CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL26879877 1.00 GPR65 (0.52) GPR65CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL30390761 0.93 GPR65 (0.53) GPR65CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL26879882 0.93 GPR65 (0.53) GPR65CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL30390684 0.93 GPR65 (0.53) GPR65CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL30390800 0.93 GPR65 (0.53) GPR65CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL30390639 0.89 GPR65 (0.49) GPR65CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL30391145 0.89 GPR65 (0.49) GPR65CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL30390891 0.89 GPR65 (0.49) GPR65CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL30390946 0.89 GPR65 (0.47) GPR65CYP3A4CYP2D6CYP2C19MEN1

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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