SCHEMBL3719484

SCHEMBL3719484

C[N+]1(C)CCc2cc3cccnc3cc2CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
ALDH1A1 P00352 6/20 0.43
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
CASP6 P55212 1/20 0.40
HTT P42858 3/20 0.40
CASP1 P29466 2/20 0.40
MEN1 O00255 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR4A2 P43354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 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
SCHEMBL11977443 0.80 NPC1 (0.48) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL21475276 0.80 NPC1 (0.48) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL719896 0.78 CHKA (0.48) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL718762 0.76 NPC1 (0.44) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL6983165 0.73 NPC1 (0.48) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL9083168 0.73 NPC1 (0.48) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL150476 0.71 NPC1 (0.65) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL29350099 0.71 NPC1 (0.65) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL14583622 0.69 NPC1 (0.44) PDGFRBPDGFRAALDH1A1NPC1POLB
SCHEMBL6647315 0.69 NPC1 (0.62) PDGFRBPDGFRAALDH1A1NPC1POLB

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-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 WO claimed