SCHEMBL27629311

SCHEMBL27629311

O=CC1CCCC(CC[C@@H](O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.36
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33

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
SCHEMBL12288900 0.82 PTGER3 (0.47) PTGER4PTGER3PTGER2
SCHEMBL2241761 0.82 PTGER3 (0.47) PTGER4PTGER3PTGER2
SCHEMBL13204793 0.81 PTGER4 (0.43) PTGER4PTGER3PTGER2
SCHEMBL5814319 0.80 PTGER3 (0.53) PTGER4PTGER3PTGER2
SCHEMBL6683022 0.80 PTGER3 (0.53) PTGER4PTGER3PTGER2
SCHEMBL5902707 0.78 PTGER4 (0.40) PTGER4PTGER3PTGER2
SCHEMBL5902794 0.78 PTGER4 (0.39) PTGER4PTGER3PTGER2
SCHEMBL5072194 0.73 PTGER2 (0.39) PTGER4PTGER3PTGER2
SCHEMBL11711444 0.73 PTGER2 (0.41) PTGER4PTGER3PTGER2
SCHEMBL7886844 0.73 PTGER2 (0.41) 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
CN-1764659-A Prostaglandin analogs as EP4 receptor antagonists MERCK FROSST CANADA LTD (CA) 2006-04-26 CN claimed
CN-1764659-A Prostaglandin analogs as EP4 receptor antagonists MERCK FROSST CANADA LTD (CA) 2006-04-26 CN disclosed