SCHEMBL8190010

SCHEMBL8190010

C[C](C)C(C)CCCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
CYP1A2 P05177 2/20 0.51
GRIN2D O15399 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CYP2A6 P11509 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
BCHE P06276 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
CES2 O00748 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL9127039 0.83 SIGMAR1 (0.56) SIGMAR1CYP1A2GRIN2DGRIN2AGRIN2B
SCHEMBL18951598 0.83 GRIN2D (0.62) SIGMAR1CYP1A2GRIN2DGRIN2AGRIN2B
SCHEMBL14402515 0.79 SIGMAR1 (0.51) SIGMAR1CYP1A2GRIN2DGRIN2AGRIN2B
SCHEMBL13849329 0.79 SIGMAR1 (0.51) SIGMAR1CYP1A2GRIN2DGRIN2AGRIN2B
SCHEMBL6569353 0.79 TSHR (0.47) SIGMAR1HDAC1HDAC8
SCHEMBL9126634 0.79 SIGMAR1 (0.54) SIGMAR1CYP1A2GRIN2DGRIN2AGRIN2B
SCHEMBL15178309 0.77 SIGMAR1 (0.53) SIGMAR1CYP1A2GRIN2DGRIN2AGRIN2B
SCHEMBL9128987 0.77 SIGMAR1 (0.53) SIGMAR1CYP1A2GRIN2DGRIN2AGRIN2B
SCHEMBL9127853 0.77 SIGMAR1 (0.53) SIGMAR1CYP1A2GRIN2DGRIN2AGRIN2B
SCHEMBL17979637 0.77 SIGMAR1 (0.49) SIGMAR1CYP1A2GRIN2DGRIN2AGRIN2B

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-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed