SCHEMBL3977199

SCHEMBL3977199

O=C(NCCCCCc1ccccc1)c1ccc2ncccc2n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
POLB P06746 2/20 0.48
EPHX2 P34913 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
ASAH1 Q13510 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6085154 0.85 NPC1 (0.82) NPC1RAB9APOLBASAH1HPGD
SCHEMBL3986906 0.84 OPRM1 (0.70) NPC1RAB9AOPRM1OPRK1TMEM97
SCHEMBL13491586 0.83 POLB (0.59) NPC1RAB9APOLBHPGD
SCHEMBL7017456 0.82 POLB (0.64) NPC1RAB9APOLBHPGD
SCHEMBL3979860 0.80 HTR1A (0.62) NPC1RAB9AEPHX2HSP90AA1HPGD
SCHEMBL3982865 0.80 HTR1A (0.62) NPC1RAB9AEPHX2HSP90AA1HPGD
SCHEMBL13844754 0.79 HTR1A (0.63) NPC1RAB9AEPHX2HSP90AA1HPGD
SCHEMBL13491517 0.78 POLB (0.59) NPC1RAB9APOLBHPGD
SCHEMBL7453913 0.76 NPC1 (1.00) NPC1RAB9APOLBHPGDSMN1; SMN2
SCHEMBL13491579 0.75 POLB (0.56) NPC1RAB9APOLBHPGDSMN1; SMN2

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
WO-2009057668-A1 AMIDE COMPOUND AND PLANT DISEASE CONTROL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 WO disclosed
WO-2009057668-A1 AMIDE COMPOUND AND PLANT DISEASE CONTROL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 WO disclosed