SCHEMBL3170212

SCHEMBL3170212

O=C(CCCOc1cccc(-c2cc[c]cc2)c1)N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.63
RAB9A P51151 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 4/20 0.63
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 1/20 0.54
HRH3 Q9Y5N1 5/20 0.53
MAPT P10636 3/20 0.51
TSHR P16473 1/20 0.51
BACE1 P56817 1/20 0.49
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
P2RY12 Q9H244 1/20 0.48
GAA P10253 1/20 0.48
LTA4H P09960 1/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 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
SCHEMBL3174328 0.84 HPGD (0.74) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3170207 0.83 HPGD (0.62) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3163742 0.82 HPGD (0.71) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3870652 0.79 HPGD (0.71) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3154775 0.78 RAB9A (0.68) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3133804 0.78 HRH3 (0.70) ALDH1A1HRH3TSHRBACE1LTA4H
SCHEMBL3133808 0.76 LTA4H (0.79) SMN1; SMN2ALDH1A1HTTHRH3BACE1
SCHEMBL7560143 0.74 HPGD (0.62) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3130524 0.71 USP2 (0.71) HPGDRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3160508 0.71 RAB9A (0.59) HPGDRAB9ASMN1; SMN2NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed