SCHEMBL3989046

SCHEMBL3989046

Cn1cc(NC(=O)c2nc3ccccc3[nH]2)nc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.46
CNR2 P34972 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
MAPT P10636 1/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
PKM P14618 1/20 0.43
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.43
LMNA P02545 2/20 0.42
XDH P47989 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL13845752 0.85 RPS6KA3 (0.46) FAAHCNR2HRH4MAPTRAB9A
SCHEMBL4437426 0.75 MMP2 (0.58) FAAHCNR2MAPTRAB9ASMN1; SMN2
SCHEMBL9669651 0.74 RAB9A (0.58) MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4100177 0.73 MAPT (0.45) FAAHCNR2MAPTRAB9ASMN1; SMN2
SCHEMBL9669129 0.73 NPC1 (0.55) FAAHCNR2RAB9ASMN1; SMN2NPC1
SCHEMBL9671465 0.73 NPC1 (0.60) FAAHCNR2RAB9ASMN1; SMN2NPC1
SCHEMBL13845733 0.72 RAB9A (0.50) MAPTRAB9ASMN1; SMN2NPC1PKM
SCHEMBL9669437 0.72 RAB9A (0.59) CNR2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9052063 0.72 NPC1 (0.53) FAAHCNR2MAPTRAB9ASMN1; SMN2
SCHEMBL1430412 0.72 FAAH (0.57) FAAHCNR2HRH4MAPTRAB9A

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-2009060215-A1 POLYAMIDES SPIROGEN LIMITED (GB) 2009-05-14 WO disclosed
WO-2009060215-A1 POLYAMIDES SPIROGEN LIMITED (GB) 2009-05-14 WO disclosed