SCHEMBL28008579

SCHEMBL28008579

CC(C)CN1CCCC1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
CHRM3 P20309 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 6/20 0.39
HTT P42858 1/20 0.38
REN P00797 1/20 0.36
ACE P12821 1/20 0.36
CFD P00746 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL16689335 1.00 OPRD1 (0.46) OPRD1CHRM3L3MBTL1FFAR1HTT
SCHEMBL28008568 0.82 CHRM3 (0.45) OPRD1CHRM3L3MBTL1HTTCFD
SCHEMBL28008567 0.82 CHRM3 (0.45) OPRD1CHRM3L3MBTL1HTTCFD
SCHEMBL7021680 0.80 ALDH1A1 (0.53) OPRD1CHRM3L3MBTL1FFAR1HTT
Hydrochloric Acid SCHEMBL23886299 0.79 ALDH1A1 (0.51) OPRD1CHRM3L3MBTL1FFAR1HTT
SCHEMBL13683784 0.78 SPHK1 (0.43) CHRM3L3MBTL1HTTALDH1A1
SCHEMBL14530162 0.78 SPHK1 (0.43) CHRM3L3MBTL1HTTALDH1A1
SCHEMBL19903704 0.78 SPHK1 (0.43) CHRM3L3MBTL1HTTALDH1A1
SCHEMBL10808055 0.76 CHRM3 (0.38) CHRM3L3MBTL1HTT
SCHEMBL10453847 0.76 SLC6A9 (0.41) CHRM3L3MBTL1HTTALDH1A1

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
CN-104662015-A Complement pathway modulators and uses thereof NOVARTIS AG 2015-05-27 CN disclosed