SCHEMBL8664465

SCHEMBL8664465

CC(C)COC(=O)N1CCC(O)CC1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.41
HTT P42858 1/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX4 Q99571 1/20 0.33
DRD2 P14416 1/20 0.32
CCR2 P41597 1/20 0.31
PIK3CD O00329 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL12270047 0.80 RAB9A (0.68) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL12270059 0.80 RAB9A (0.68) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL12787400 0.80 RAB9A (0.68) RAB9AHTTTSHRALDH1A1GAA
SCHEMBL28383221 0.78 SMN1; SMN2 (0.43) RAB9APOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL7803688 0.77 TSHR (0.52) TSHRALDH1A1
SCHEMBL7803687 0.77 TSHR (0.52) TSHRALDH1A1
SCHEMBL794087 0.76 RAB9A (0.50) RAB9AALDH1A1GAAHSD11B1MEN1
SCHEMBL24179626 0.73 HTR2C (0.53) RAB9ASMN1; SMN2
SCHEMBL3240363 0.73 HTR2C (0.53) RAB9ASMN1; SMN2
SCHEMBL29936064 0.73 HTR2C (0.53) RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756508-A Muscarine antagonists MERCK & CO., INC. (US) 1998-05-26 US disclosed
WO-1997016192-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1997-05-09 WO disclosed