SCHEMBL10440669

SCHEMBL10440669

NC12CCC(CC1Cc1ccccc1)CN2C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
HTR2C P28335 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM1A O60341 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL204641 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C19NPC1RAB9APSEN1
SCHEMBL205712 0.74 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL4346054 0.74 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C19NPC1RAB9APSEN1
SCHEMBL24998863 0.73 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19NPC1RAB9APSEN1
SCHEMBL4330117 0.72 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19NPC1RAB9APSEN1
SCHEMBL10440670 0.71 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19NPC1RAB9APSEN1
SCHEMBL206634 0.71 ALDH1A1 (0.46) SMN1; SMN2CYP2C19NPC1RAB9APSEN1
SCHEMBL203861 0.70 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C
SCHEMBL3952154 0.69 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C19NPC1RAB9APSEN1
SCHEMBL30403136 0.69 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19NPC1RAB9AHTR2C

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-0356193-A2 Amino-substituted bridged azabicyclic quinolone carboxylic acids and esters PFIZER INC. (US) 1990-02-28 EP disclosed