SCHEMBL8076065

SCHEMBL8076065

CCCCCC(C)[CH]CN

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
SPHK1 Q9NYA1 1/20 0.40
TP53 P04637 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
DNM1 Q05193 8/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
EPHX1 P07099 1/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL8078549 0.93
SCHEMBL8083586 0.82
SCHEMBL3891492 0.80 OPRM1 (0.46) OPRM1SPHK1TP53ADH1BADH1C
SCHEMBL11291105 0.78 OPRM1 (0.44) OPRM1SPHK1ADH1BADH1CADH1A
SCHEMBL3886041 0.78 OPRM1 (0.44) OPRM1SPHK1ADH1BADH1CADH1A
SCHEMBL12483541 0.78 OPRM1 (0.44) OPRM1SPHK1ADH1BADH1CADH1A
SCHEMBL9866884 0.78 OPRM1 (0.44) OPRM1SPHK1TP53ADH1BADH1C
SCHEMBL12484810 0.78 OPRM1 (0.44) OPRM1SPHK1ADH1BADH1CADH1A
SCHEMBL13279660 0.76 TSHR (0.42) OPRM1SPHK1ADH1BADH1CADH1A
SCHEMBL4037962 0.76 TSHR (0.42) OPRM1SPHK1ADH1BADH1CADH1A

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
EP-0846679-B1 Process for preparing 1,3-disubstituted urea SUMIKA FINE CHEMICALS CO LTD (JP) 2000-09-06 EP disclosed
US-5902899-A Process for preparing 1, 3-disubstituted urea SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-05-11 US disclosed
EP-0846679-A2 Process for preparing 1,3-disubstituted urea SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-06-10 EP disclosed