SCHEMBL635958

SCHEMBL635958

CCCC1CCC(=O)N1CC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.40
PTGER3 P43115 4/20 0.40
PTGER2 P43116 4/20 0.40
P2RX7 Q99572 11/20 0.36
KMT2A Q03164 1/20 0.35
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 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
SCHEMBL1866699 0.89 PTGER4 (0.44) PTGER4PTGER3PTGER2P2RX7KMT2A
SCHEMBL2034493 0.86 PTGER4 (0.36) PTGER4PTGER3PTGER2P2RX7KMT2A
SCHEMBL11364946 0.85 PTGER4 (0.48) PTGER4PTGER3PTGER2KMT2A
SCHEMBL13651410 0.83 PER2 (0.42) P2RX7KMT2ACHRM2CHRM4CHRM5
SCHEMBL2782894 0.83 PER2 (0.42) P2RX7KMT2ACHRM2CHRM4CHRM5
SCHEMBL12993185 0.83 PTGER4 (0.52) PTGER4PTGER3PTGER2KMT2A
SCHEMBL12298852 0.83 PTGER4 (0.52) PTGER4PTGER3PTGER2KMT2A
SCHEMBL280622 0.82 PTGER4 (0.34) PTGER4PTGER3PTGER2P2RX7KMT2A
SCHEMBL265281 0.80 PTGER3 (0.50) PTGER4PTGER3PTGER2P2RX7KMT2A
SCHEMBL11949258 0.80 L3MBTL1 (0.39) P2RX7KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129819-A1 GEL COMPOSITIONS FOR ADMINISTRATION OF PHARMACEUTICALLY ACTIVE COMPOUNDS MEDORTUS (UK) LTD (GB) 2012-05-24 US disclosed
EP-2419138-A1 GEL COMPOSITIONS FOR ADMINISTRATION OF PHARMACEUTICALLY ACTIVE COMPOUNDS Medortus (UK) Ltd (GB) 2012-02-22 EP disclosed
WO-2010118461-A1 GEL COMPOSITIONS FOR ADMINISTRATION OF PHARMACEUTICALLY ACTIVE COMPOUNDS VANCAILLIE THIERRY (AU) 2010-10-21 WO disclosed