SCHEMBL13850355

SCHEMBL13850355

CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRB2 P47870 2/20 0.40
TSHR P16473 2/20 0.40
FAAH O00519 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
GABRB1 P18505 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
HTR2B P41595 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL29788104 0.82 DPP4 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL12890591 0.76 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL13885141 0.74 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL14221891 0.74 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL220287 0.73 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL14185358 0.73 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL28671844 0.72 DPP4 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL8990154 0.71 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL17310016 0.71 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL456981 0.71 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR

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-2060260-A1 Therapeutic agents useful for treating pain Euro-Celtique S.A. (LU) 2009-05-20 EP disclosed
EP-1862458-A2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-12-05 EP disclosed