SCHEMBL6671470

SCHEMBL6671470

O=C1CC[C@H](CCCCCCc2nn[nH]n2)N1CCC(O)Cc1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.51
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45

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
SCHEMBL7606712 0.94 PTGER4 (0.55) PTGER4PTGER3PTGER2
SCHEMBL6308788 0.94 PTGER4 (0.55) PTGER4PTGER3PTGER2
SCHEMBL6556661 0.94 PTGER4 (0.55) PTGER4PTGER3PTGER2
SCHEMBL6686656 0.88 PTGER4 (0.60) PTGER4PTGER3PTGER2
SCHEMBL6557846 0.84 PTGER4 (0.55) PTGER4PTGER3PTGER2
SCHEMBL7606718 0.84 PTGER4 (0.50) PTGER4PTGER3PTGER2
SCHEMBL6558651 0.83 PTGER3 (0.61) PTGER4PTGER3PTGER2
SCHEMBL6758333 0.82 PTGER4 (0.69) PTGER4PTGER3PTGER2
SCHEMBL4988619 0.82 PTGER4 (0.53) PTGER4PTGER3PTGER2
SCHEMBL6315788 0.82 PTGER4 (0.69) 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-1461026-A2 METHOD FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2004-09-29 EP disclosed
WO-2003047513-A2 METHOD FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2003-06-12 WO disclosed