SCHEMBL27166118

SCHEMBL27166118

N#CC(=C1CCN(C(=O)N2CCn3nncc3C2)CC1)c1ccc(Cl)cn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
NAMPT P43490 1/20 0.33
AKR1C3 P42330 1/20 0.33
HTR1F P30939 1/20 0.32

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
SCHEMBL30057114 1.00 GRM5 (0.35) GRM5NAMPTAKR1C3HTR1F
SCHEMBL27166119 0.83 NAMPT (0.34) GRM5NAMPTAKR1C3HTR1F
SCHEMBL30056225 0.83 NAMPT (0.34) GRM5NAMPTAKR1C3HTR1F
SCHEMBL27166123 0.83 PKM (0.40) GRM5NAMPTAKR1C3
SCHEMBL27166154 0.83 NOTUM (0.33) GRM5AKR1C3HTR1F
SCHEMBL30055057 0.83 NOTUM (0.33) GRM5AKR1C3HTR1F
SCHEMBL30057055 0.83 PKM (0.40) GRM5NAMPTAKR1C3
SCHEMBL27166028 0.79 NAMPT (0.48) GRM5NAMPTAKR1C3
SCHEMBL30056589 0.79 FAAH (0.37) AKR1C3HTR1F
SCHEMBL27166059 0.79 FAAH (0.37) AKR1C3HTR1F

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-4334289-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF Organon R&D Finland Ltd (FI) 2024-03-13 EP disclosed