SCHEMBL159754

SCHEMBL159754

CCc1cccc(N=C=Nc2ccccc2)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
MIF P14174 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MGLL Q99685 1/20 0.33
CYP3A4 P08684 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
HTR1A P08908 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL18244924 0.91 GABRA1 (0.47) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B
SCHEMBL28658322 0.81 GABRA1 (0.42) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B
SCHEMBL168873 0.81 GABRA1 (0.58) GABRA1GABRB2MIFMGLLALDH1A1
SCHEMBL15261803 0.79 ALDH1A1 (0.43) GABRA1GABRB2CYP3A4ALDH1A1TSHR
SCHEMBL2347924 0.79 GABRA1 (0.60) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B
SCHEMBL722841 0.78 GABRA1 (0.47) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B
SCHEMBL28295657 0.77 CYP3A4 (0.38) GABRA1GABRB2MIFCYP3A4HTR1A
SCHEMBL28208432 0.77 GABRA1 (0.44) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B
SCHEMBL18245021 0.77 GABRA1 (0.61) GABRA1GABRB2MIFSIGMAR1GRIN2D
SCHEMBL8978146 0.73 GABRA1 (0.40) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B

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-2012030410-A1 HYDRODYNAMIC DISC DRIVE SPINDLE MOTOR HAVING HYDRO BEARING WITH LUBRICANT SEAGATE TECHNOLOGY LLC (US) 2012-03-08 WO disclosed