SCHEMBL7967425

SCHEMBL7967425

CCCCCCN([C]=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.48
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
GGPS1 O95749 3/20 0.36
EPHX2 P34913 5/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34

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
SCHEMBL7964318 0.98 DNM1 (0.44) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL5235256 0.93 DNM1 (0.36) DNM1TSHREPHX2CA12CA1
SCHEMBL93284 0.80
SCHEMBL303800 0.76 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9661129 0.76 DNM1 (0.46) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL58041 0.76 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9660564 0.76 DNM1 (0.46) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9660374 0.76 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9661121 0.76 DNM1 (0.46) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL1061735 0.76 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9095495-A None JP disclosed
US-6300331-B1 DRUGS AS ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-1020446-A1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed
JP-H0995495-A ANTISENSE OLIGONUCLEOTIDE, NUCLEOSIDE AND INTERMEDIATE FOR PRODUCING THE SAME, ITS SYNTHESIS, OLIGONUCLEOTIDE SYNTHESIZING UNIT AND ITS SYNTHESIS KANSAI SHIN GIJUTSU KENKYUSHO:KK 1997-04-08 JP disclosed