SCHEMBL27147403

SCHEMBL27147403

CN(c1ccc(C(F)(F)F)cc1Cl)C1CN(C(=O)N2CC3(CC(c4cncc(F)c4)C3)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.36
▸ ABHD6 Q9BV23 1/20 0.34
▸ CRHR1 P34998 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ UGCG Q16739 1/20 0.32
▸ MCHR1 Q99705 4/20 0.32
▸ MGLL Q99685 3/20 0.31
▸ PROKR1 Q8TCW9 1/20 0.31
▸ HDAC4 P56524 2/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ TACR3 P29371 1/20 0.31
▸ LPL P06858 1/20 0.31
▸ LIPC P11150 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL27147404 0.80 FAAH (0.37) ABHD6CRHR1MCHR1MGLLHDAC4
SCHEMBL30012519 0.80 FAAH (0.37) ABHD6CRHR1MCHR1MGLLHDAC4
SCHEMBL27246517 0.74 FFAR4 (0.34) ABHD6MGLLPROKR1
SCHEMBL30013207 0.70 MGLL (0.49) ABHD6MGLLHDAC4
SCHEMBL27150619 0.70 MGLL (0.49) ABHD6MGLLHDAC4
SCHEMBL27151949 0.70 MGLL (0.40) ABHD6MGLLHDAC4
SCHEMBL30012659 0.70 MGLL (0.40) ABHD6MGLLHDAC4
SCHEMBL27246520 0.69 MGLL (0.51) PDK2CYP3A4MCHR1MGLLPROKR1
SCHEMBL30013143 0.68 ABHD6 (0.43) ABHD6MGLLHDAC4
SCHEMBL27153173 0.68 ABHD6 (0.43) ABHD6MGLLHDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP claimed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
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