SCHEMBL5575889

SCHEMBL5575889

CC(C)c1cccc(Cc2cccc(C(C)C)c2N)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRB2 P47870 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL770339 0.85 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL29631719 0.85 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL27429992 0.83 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL22415013 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL3962423 0.82 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2CYP1A2
Hydrochloric Acid SCHEMBL8107458 0.82 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL104314 0.81 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL8109328 0.80 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL1275866 0.80 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2CYP1A2
Propane SCHEMBL27557470 0.79 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0362649-B1 Radiation-sensitive compositions and their use BASF AG (DE) 1994-03-02 EP claimed
US-5284734-A Insulating layers and printed circuits; precursors for polyimides and polyquinazolines BASF AKTIENGESELLSCHAFT (DE) 1994-02-08 US claimed
EP-1868987-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2007-12-26 EP disclosed
WO-2006104528-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2006-10-05 WO disclosed
EP-0362649-B1 Radiation-sensitive compositions and their use BASF AG (DE) 1994-03-02 EP disclosed
US-5284734-A Insulating layers and printed circuits; precursors for polyimides and polyquinazolines BASF AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed