SCHEMBL4788914

SCHEMBL4788914

Oc1cccc(C2=NC(Cc3c[nH]c4ccccc34)CO2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
HPGDS O60760 2/20 0.43
MET P08581 1/20 0.43
CCKBR P32239 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PTPN1 P18031 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 3/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4788912 1.00 HRH3 (0.44) HRH3HPGDSMETCCKBRALDH1A1
SCHEMBL4786913 0.80 CCKBR (0.42) HRH3CCKBRMAPTSLC6A4HTR6
SCHEMBL4786920 0.80 CCKBR (0.42) HRH3CCKBRMAPTSLC6A4HTR6
SCHEMBL4750670 0.78 MAPT (0.65) HRH3ALDH1A1MAPTNPC1POLB
SCHEMBL4750672 0.78 MAPT (0.65) HRH3ALDH1A1MAPTNPC1POLB
SCHEMBL14498457 0.72 CCKBR (0.45) CCKBRSLC6A4HTR6
SCHEMBL18409682 0.68 PTPN1 (0.54) HPGDSMETALDH1A1MAPTPTPN1
SCHEMBL14351756 0.68 MAPT (0.72) HRH3ALDH1A1MAPTNPC1POLB
SCHEMBL18409685 0.67 PTPN1 (0.46) HPGDSMETPTPN1HTR6
SCHEMBL4748372 0.66 NPC1 (0.50) MAPTNPC1RAB9A

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
WO-2008129129-A1 HETEROCYCLIC PHENYL CARBAMATES AS NOVEL FAAH-INHIBITORS KUOPION YLIOPISTO (FI) 2008-10-30 WO disclosed