SCHEMBL6882996

SCHEMBL6882996

O=C(c1ccccc1)N1CCC(O)C1.OC1CCNC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
CHRNA7 P36544 2/20 0.51
CHRNA4 P43681 2/20 0.51
SIGMAR1 Q99720 1/20 0.51
GRM5 P41594 1/20 0.49
EPHX1 P07099 1/20 0.49
ACHE P22303 1/20 0.49
SLC18A3 Q16572 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PDK2 Q15119 1/20 0.45
ATM Q13315 1/20 0.44
VNN1 O95497 1/20 0.44

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
SCHEMBL5871923 0.87 ACHE (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12442621 0.87 ACHE (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2720515 0.87 ACHE (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6881544 0.81 NPC1 (0.59) CHRNA7NPC1RAB9A
SCHEMBL6873826 0.79 SMN1; SMN2 (0.56) NPC1RAB9A
SCHEMBL10098902 0.79 SMN1; SMN2 (0.62) GRM5
SCHEMBL28200535 0.78 HPGD (0.61) ACHESLC18A3L3MBTL3L3MBTL1
SCHEMBL4003986 0.77 GRM5 (0.73) SIGMAR1GRM5EPHX1ACHESLC18A3
SCHEMBL13801428 0.75 SIGMAR1 (0.72) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3110491 0.74 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-1131460-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 3-HYDROXY-PYRROLIDINE DERIVATIVEES BY ENZYMATIC HYDROXYLATION EIDGENOESS TECH HOCHSCHULE (CH) 2004-10-06 EP claimed