SCHEMBL30553285

SCHEMBL30553285

O=C(N1CC(NCc2cc(Cl)ccc2C(F)(F)F)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 10/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ MGLL Q99685 3/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ PROKR1 Q8TCW9 2/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ AVPR1A P37288 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
SCHEMBL25325576 1.00 FAAH (0.36) FAAHP2RX7MGLLPDCD1LG2CD274
SCHEMBL25328280 0.91 NTRK1 (0.35) P2RX7MGLLPDCD1LG2CD274
SCHEMBL25324066 0.86 P2RX7 (0.39) P2RX7
SCHEMBL25324075 0.85 P2RX7 (0.37) P2RX7MGLLPDCD1LG2CD274
SCHEMBL25325226 0.85 FAAH (0.38) FAAHP2RX7MGLLPDCD1LG2CD274
SCHEMBL25323130 0.84 PDE2A (0.37) P2RX7MGLL
SCHEMBL25322265 0.84 POLB (0.39) MGLL
SCHEMBL25325835 0.82 MGLL (0.37) MGLL
SCHEMBL25324202 0.82 FAAH (0.38) FAAHMGLL
SCHEMBL30553134 0.82 FAAH (0.38) FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
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