SCHEMBL6907820

SCHEMBL6907820

CC(=Nc1c(C(C)C)cccc1C(C)C)c1cc(C)cc(C(C)=Nc2c(C(C)C)cccc2C(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
LMNA P02545 4/20 0.36
SLC6A2 P23975 2/20 0.36
HTR2B P41595 2/20 0.36
GABRB2 P47870 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 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
SCHEMBL6907816 1.00 GABRA1 (0.37) GABRA1GABRG2GABRB3LMNASLC6A2
Hydrochloric Acid SCHEMBL7178078 0.97 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNASLC6A2
Hydrochloric Acid SCHEMBL7180395 0.97 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNASLC6A2
Hydrochloric Acid SCHEMBL7173893 0.97 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNASLC6A2
Hydrochloric Acid SCHEMBL7173240 0.97 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNASLC6A2
Hydrochloric Acid SCHEMBL7177858 0.97 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNASLC6A2
Hydrochloric Acid SCHEMBL7176069 0.97 GABRA1 (0.35) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL6914688 0.94 LMNA (0.35) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL6914691 0.94 LMNA (0.35) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL6916141 0.92 KMT2A (0.34) GABRA1GABRG2GABRB3LMNASLC6A2

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-2004074333-A2 PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed