SCHEMBL7603572

SCHEMBL7603572

C/C=C/c1[c]cc(CC)c(CC)c1Br

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL10832035 0.74 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL293449 0.67
SCHEMBL10457411 0.64 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL293695 0.61
SCHEMBL2285787 0.59 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL2140671 0.59
SCHEMBL27743275 0.59
SCHEMBL743996 0.58 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL6024080 0.58
SCHEMBL11784144 0.58

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-1242432-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-09-25 EP disclosed
WO-2001046205-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 WO disclosed