SCHEMBL15323722

SCHEMBL15323722

NC(=O)[C@H]1[C@H](C(=O)N(CCCCN2CCOCC2)c2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 19/20 0.54
▸ FPR3 P25089 18/20 0.54
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL15323797 0.80 FPR3 (0.53) FPR2FPR3
SCHEMBL15324461 0.76 FPR2 (0.51) FPR2FPR3
SCHEMBL15323522 0.75 FPR2 (0.50) FPR2FPR3
SCHEMBL15103736 0.74 FPR2 (0.60) FPR2FPR3
SCHEMBL15323912 0.73 FPR2 (0.55) FPR2FPR3
SCHEMBL2683855 0.70 FPR2 (1.00) FPR2FPR3
SCHEMBL2682811 0.69 FPR3 (1.00) FPR2FPR3
SCHEMBL15103686 0.68 FPR2 (0.59) FPR2FPR3
Hydrochloric Acid SCHEMBL7562236 0.67 ALDH1A1 (0.41) KDM4ESMN1; SMN2
SCHEMBL2682963 0.67 FPR3 (1.00) FPR2FPR3

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
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 — — US claimed
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