SCHEMBL5761965

SCHEMBL5761965

COC(=O)C(CCC#CCN1C(=O)CCC[C@@H]1C/C=C(\O)Cc1ccccc1)N1C(=O)CCC[C@@H]1C/C=C(\O)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.35
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGER4 P35408 5/20 0.32
P2RX7 Q99572 5/20 0.31

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
SCHEMBL5761936 0.85 PTGER4 (0.40) CAPN1HCRTR1HCRTR2PTGER4
SCHEMBL5762186 0.85 CAPN1 (0.35) CAPN1HCRTR1HCRTR2ATML3MBTL1
SCHEMBL5763606 0.82 PTGER4 (0.37) CAPN1HCRTR1HCRTR2PTGER4P2RX7
SCHEMBL5760403 0.79 PTGER4 (0.38) PTGER4
SCHEMBL5762382 0.79 HCRTR1 (0.37) CAPN1HCRTR1HCRTR2PTGER4P2RX7
SCHEMBL4373362 0.79 PTGER4 (0.38) CAPN1HCRTR1HCRTR2PTGER4
SCHEMBL5762444 0.77 HCRTR1 (0.35) CAPN1HCRTR1HCRTR2L3MBTL1PTGER4
SCHEMBL4378130 0.75 PTGER4 (0.51) PTGER4
SCHEMBL1377509 0.72 P2RX7 (0.37) HCRTR1HCRTR2PTGER4P2RX7
SCHEMBL5757536 0.71 PTGER4 (0.46) HCRTR1HCRTR2PTGER4

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