SCHEMBL24445535

SCHEMBL24445535

c1ccc(N2CCc3ccc(Cc4ccc5c(c4)CN(c4ccccc4)CO5)cc3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.39
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
AOC3 Q16853 1/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HRH1 P35367 2/20 0.36
DRD4 P21917 2/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA2C P18825 1/20 0.35
NTRK1 P04629 1/20 0.35
DDR1 Q08345 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
DDR2 Q16832 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
SCHEMBL22384638 0.93 FAAH (0.35) EEDNPC1MAPTRAB9AAOC3
SCHEMBL40317 0.90 NPC1 (0.40) NPC1MAPTRAB9AADRA2AADRA2B
SCHEMBL19751597 0.88 AOC3 (0.33) EEDNPC1MAPTRAB9AAOC3
SCHEMBL12143524 0.87 NPC1 (0.40) NPC1MAPTRAB9AADRA2AADRA2B
SCHEMBL13896548 0.81 EED (0.48) EEDNPC1MAPTRAB9AMEN1
SCHEMBL20612871 0.81 OGA (0.40) EEDNPC1MAPTRAB9AAOC3
SCHEMBL16084554 0.80 OXTR (0.42) NPC1MAPTRAB9ADRD4DRD2
SCHEMBL21437134 0.79 CYP3A4 (0.39) NPC1MAPTRAB9ADRD4MEN1
SCHEMBL21846713 0.79
SCHEMBL19751520 0.79 CYP3A4 (0.34) NPC1MAPTRAB9ADRD4DRD2

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-3724252-B1 CURING COMPONENTS FOR MULTI-COMPONENT EPOXY RESIN MASS AND MULTI-COMPONENT EPOXY RESIN MASS HILTI AG (LI) 2022-05-25 EP disclosed