SCHEMBL724160

SCHEMBL724160

CC(C)N(c1cccc(CCCc2c[c]ccc2OCc2ccccc2)c1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.39
DRD2 P14416 3/20 0.39
ABCB1 P08183 3/20 0.39
PTGER1 P34995 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
MGLL Q99685 1/20 0.36
BCHE P06276 5/20 0.36
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL722894 0.81 PTGER1 (0.44) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL724228 0.79 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2
SCHEMBL11299423 0.79 MAOA (0.44) HTR1ADRD2ABCB1PTGER1PTGER4
Hydrochloric Acid SCHEMBL723195 0.78 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2
SCHEMBL7758338 0.78 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2
SCHEMBL1901763 0.77 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2RAB9A
SCHEMBL28860396 0.76 HTR1A (0.46) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL7723035 0.70 CHRM2 (0.42) PTGER1PTGER4PTGER3PTGER2BCHE
SCHEMBL7243289 0.68 HTR1A (0.47) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL28317762 0.68 TSHR (0.48) HTR1ADRD2ABCB1ALDH1A1MAPT

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
WO-2012025941-A2 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2012-03-01 WO disclosed