SCHEMBL30012574

SCHEMBL30012574

O=C(N1CC(NCc2ccc(C(F)(F)F)cc2Cl)C1)N1CC2(CC(c3ccc(C(F)(F)F)nc3)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.37
▸ P2RX7 Q99572 4/20 0.37
▸ MGLL Q99685 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ TRPV4 Q9HBA0 2/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ PDCD1LG2 Q9BQ51 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ PPARG P37231 2/20 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
SCHEMBL27146340 1.00 FAAH (0.37) FAAHP2RX7MGLLEPHX2CCNC
SCHEMBL30013062 0.88 CCR2 (0.35) PDCD1LG2CD274KCNH2CCR2
SCHEMBL27147412 0.88 CCR2 (0.35) PDCD1LG2CD274KCNH2CCR2
SCHEMBL30012519 0.85 FAAH (0.37) FAAHP2RX7MGLLEPHX2PDCD1LG2
SCHEMBL27147404 0.85 FAAH (0.37) FAAHP2RX7MGLLEPHX2PDCD1LG2
SCHEMBL25325226 0.82 FAAH (0.38) FAAHP2RX7MGLLPDCD1LG2CD274
SCHEMBL30720264 0.78 HRH3 (0.43) MGLLTRPV4DGAT1KCNH2
SCHEMBL27149307 0.78 HRH3 (0.43) MGLLTRPV4DGAT1KCNH2
SCHEMBL30012490 0.77 MGLL (0.46) FAAHP2RX7MGLL
SCHEMBL27143260 0.77 MGLL (0.46) FAAHP2RX7MGLL

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-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP claimed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO claimed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO disclosed
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