SCHEMBL11140732

SCHEMBL11140732

CCCCC[C@H]1CC[C@H](c2ccc3cc(OC)ccc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
DRD2 P14416 4/20 0.42
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.38
HTR2C P28335 2/20 0.38
SLC10A2 Q12908 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
FDFT1 P37268 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CASR P41180 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
SCHEMBL11140737 1.00 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL11139081 0.99 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL11141965 0.99 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL11138855 0.99 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL11139090 0.99 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL11138858 0.99 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL11141958 0.99 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL11142867 0.96 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL11142868 0.96 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3DRD2MAPT
SCHEMBL3158745 0.90 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3DRD2MAPT

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
US-4386007-A ELECTROOPTIC DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-05-31 US disclosed