SCHEMBL5760403

SCHEMBL5760403

O=C(O)CCCC#CCN1C(=O)CCC[C@@H]1C/C=C(\O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL5763606 0.90 PTGER4 (0.37) PTGER4CHRM2CHRM4CHRM5CHRM1
SCHEMBL5762200 0.84 PTGER4 (0.39) PTGER4PTGER3PTGER2CHRM2CHRM4
SCHEMBL5757165 0.84 PTGER4 (0.51) PTGER4PTGER3PTGER2
SCHEMBL5761562 0.84 PTGER4 (0.51) PTGER4PTGER3PTGER2
SCHEMBL5762444 0.84 HCRTR1 (0.35) PTGER4CHRM2CHRM4CHRM5CHRM1
SCHEMBL5508327 0.82 PTGER4 (0.51) PTGER4
SCHEMBL14277463 0.82 PTGER4 (0.37) PTGER4PTGER3PTGER2CHRM2CHRM4
SCHEMBL5761965 0.79 CAPN1 (0.35) PTGER4
SCHEMBL5762382 0.79 HCRTR1 (0.37) PTGER4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14293926 0.79 PTGER4 (0.44) PTGER4PTGER3PTGER2

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-1631355-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-03-08 EP disclosed
WO-2004108215-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2004-12-16 WO disclosed