SCHEMBL9879640

SCHEMBL9879640

O=C(CCCc1ccccc1)N1CCCC1[C@H](O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
DUT P33316 1/20 0.49
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
PREP P48147 3/20 0.45
EPHX2 P34913 2/20 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
SCHEMBL7291568 0.82 MEN1 (0.53) MEN1NPC1RAB9AKMT2APREP
SCHEMBL9875166 0.81 PREP (0.60) KMT2ADUTCYP1A2CYP2D6TSHR
SCHEMBL10557781 0.81 PREP (0.60) KMT2ADUTCYP1A2CYP2D6TSHR
SCHEMBL7283530 0.80 MEN1 (0.51) MEN1NPC1RAB9AKMT2AEPHX2
SCHEMBL7281110 0.80 NPC1 (0.51) MEN1NPC1RAB9AKMT2ADUT
SCHEMBL3540440 0.79 DPP4 (0.46) NPC1RAB9ADUTKDM4ECYP1A2
SCHEMBL5177302 0.79 DPP4 (0.46) NPC1RAB9ADUTKDM4ECYP1A2
SCHEMBL23052796 0.78 DUT (0.55) MEN1NPC1RAB9AKMT2ADUT
SCHEMBL7330019 0.78 MEN1 (0.63) MEN1NPC1RAB9AKMT2A
SCHEMBL5741647 0.78 MEN1 (0.63) MEN1NPC1RAB9AKMT2A

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
US-5051444-A Pyrrolidine derivatives as anti-amnesia agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-09-24 US disclosed