SCHEMBL25145708

SCHEMBL25145708

O=C1NCC2(CN(C(=O)N3CCC(Cc4ccc(F)cc4F)CC3)C2)N1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.46
▸ HTR2A P28223 3/20 0.41
▸ HTR2C P28335 3/20 0.41
▸ GPR6 P46095 7/20 0.38
▸ CCR3 P51677 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 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
SCHEMBL25145595 0.89 MGLL (0.43) MGLLCCR3
SCHEMBL25145712 0.89 MGLL (0.43) MGLLHTR2AHTR2C
SCHEMBL30409868 0.88 MGLL (0.36) MGLLHTR2AHTR2CGPR6GRIN2B
SCHEMBL20695379 0.84 MGLL (0.64) MGLLHTR2AHTR2CGPR6CCR3
SCHEMBL25146310 0.82 MGLL (0.49) MGLLHTR2AHTR2CGPR6
SCHEMBL25145608 0.79 MGLL (0.41) MGLLHTR2AHTR2CGPR6CCR3
SCHEMBL30410100 0.77 MGLL (0.37) MGLL
SCHEMBL30410099 0.77 MGLL (0.38) MGLL
SCHEMBL25145589 0.74 MGLL (0.55) MGLLCCR3GRIN1GRIN2B
SCHEMBL25145609 0.74 MGLL (0.46) MGLL

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-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO disclosed
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