SCHEMBL2642130

SCHEMBL2642130

CCN(CC)c1cccc(-c2ccccc2-n2cnc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
DHFR P00374 8/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37
PLK1 P53350 1/20 0.37
CNR2 P34972 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 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
Hydrochloric Acid SCHEMBL2642036 0.83 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761690 0.77 FGFR1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761955 0.76 ALDH1A1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762266 0.76 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762136 0.74 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1762112 0.74 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761900 0.74 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL2642069 0.72 FGFR1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2641983 0.72 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1761981 0.72 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563001-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1996-02-28 EP disclosed
US-5360809-A Imidazole compounds and their use as calcium channel blockers NEUROSEARCH A/S (DK) 1994-11-01 US disclosed
EP-0563001-A1 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1993-09-29 EP disclosed