SCHEMBL9048945

SCHEMBL9048945

C[CH]CCCc1c(C)cccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
GABRB2 P47870 2/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
GABRB1 P18505 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
HTR2B P41595 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL9046158 0.83 GABRA1 (0.42) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL9045560 0.83 GABRA1 (0.42) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL9049177 0.83 GABRA1 (0.42) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL9045457 0.82 GABRA1 (0.41) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL9045752 0.81 GABRA1 (0.40) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL9058555 0.81 GABRA1 (0.40) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL9046868 0.81 LPAR1 (0.42) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL13075181 0.79 GABRA1 (0.44) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL19289745 0.79 GABRA1 (0.47) GABRA1GABRG2GABRB3TSHRLMNA
SCHEMBL9045163 0.79 GABRA1 (0.47) GABRA1GABRG2GABRB3TSHRLMNA

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
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP disclosed