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Sugi Predict / Compounds / SCHEMBL2325147

SCHEMBL2325147

SCHEMBL2325147

CCCCc1nc(C(=O)Nc2cnn(Cc3ccc(C(C)=O)o3)n2)c(-c2ccccc2)o1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 18/20 0.49
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ RXRG P48443 1/20 0.36

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
SCHEMBL2328578 0.91 FPR2 (0.52) FPR2HCRTR1HCRTR2
SCHEMBL27951819 0.91 FPR2 (0.50) FPR2RXRARXRBNR4A2RXRG
SCHEMBL2324536 0.90 FPR2 (0.51) FPR2HCRTR1HCRTR2
SCHEMBL2327605 0.89 FPR2 (0.51) FPR2HCRTR1HCRTR2
SCHEMBL2327618 0.87 FPR2 (0.53) FPR2HCRTR1HCRTR2
SCHEMBL1166747 0.87 FPR2 (0.49) FPR2HCRTR1HCRTR2
SCHEMBL2334107 0.86 FPR2 (0.50) FPR2
SCHEMBL2330497 0.86 FPR2 (0.62) FPR2HCRTR1HCRTR2
SCHEMBL1166335 0.85 HCRTR2 (0.58) HCRTR1HCRTR2
SCHEMBL2324631 0.84 FPR2 (0.49) FPR2HCRTR1HCRTR2

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-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 — — EP claimed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 — — EP disclosed