SCHEMBL6968539

SCHEMBL6968539

CC(C)C(CN)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
GRIA4 P48058 3/20 0.41
NR1H4 Q96RI1 2/20 0.39
LMNA P02545 2/20 0.38
EPHX1 P07099 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
TYR P14679 1/20 0.37
ATM Q13315 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PDE2A O00408 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 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
SCHEMBL6948449 0.82 GRIA4 (0.45) TAAR1SLC6A2SLC6A3GRIA4NR1H4
SCHEMBL18253224 0.80 LMNA (0.49) GRIA4NR1H4LMNAEPHX1TSHR
SCHEMBL6982075 0.79 TAAR1 (0.56) TAAR1GRIA4NR1H4LMNAEPHX1
SCHEMBL5878391 0.79 TAAR1 (0.56) TAAR1GRIA4NR1H4LMNAEPHX1
SCHEMBL6940717 0.77 LMNA (0.43) GRIA4NR1H4LMNAEPHX1TSHR
SCHEMBL6948298 0.77 LMNA (0.43) GRIA4NR1H4LMNAEPHX1TSHR
SCHEMBL8011990 0.77 TAAR1 (0.65) TAAR1SLC6A2SLC6A4SLC6A3MAOB
SCHEMBL18387217 0.76 TSHR (0.46) GRIA4NR1H4LMNAEPHX1TSHR
SCHEMBL11660622 0.75 TSHR (0.41) GRIA4LMNATSHRTP53TYR
SCHEMBL17892070 0.75 TAAR1 (0.63) TAAR1SLC6A2SLC6A4SLC6A3EPHX1

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
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed