SCHEMBL6683447

SCHEMBL6683447

Cc1cccc(C2C3CC4CC(C3)CC2(CC(C)N)C4)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.38
HTR2A P28223 2/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
OPRK1 P41145 1/20 0.30
ADAM17 P78536 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30

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
SCHEMBL6680340 0.88 EPHX2 (0.36) HTR2CHTR2ASLC6A4HTR2BSLC6A3
Hydrochloric Acid SCHEMBL6683830 0.81 HTR2C (0.45) HTR2CHTR2ASLC6A4HTR2BSLC6A3
Hydrochloric Acid SCHEMBL7054932 0.79 HTR2C (0.43) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL6682696 0.78 EPHX2 (0.36) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL6680351 0.78 EPHX2 (0.41) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL6684558 0.78 MEN1 (0.37) HTR2CHTR2ASLC6A4HTR2BSLC6A3
Hydrochloric Acid SCHEMBL6685217 0.77 HTR2C (0.37) HTR2CHTR2ASLC6A4HTR2BSLC6A3
Hydrochloric Acid SCHEMBL6682397 0.77 HTR2C (0.37) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL6683992 0.75 HTR2C (0.35) HTR2CHTR2ASLC6A4HTR2BSLC6A3
Hydrochloric Acid SCHEMBL6683440 0.74 HTR2C (0.37) HTR2CHTR2ASLC6A4HTR2BSLC6A3

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-1305306-B1 2-ADAMANTYLETHYLAMINES AND THEIR USE IN THE TREATMENT OF CONDITIONS GENERALLY ASSOCIATED WITH ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RES LTD (GB) 2004-11-24 EP claimed