SCHEMBL6244493

SCHEMBL6244493

Nc1ccc(-c2c(N)nc(N)nc2CBr)cc1.Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 20/20 0.66
▸ DHFR P00374 2/20 0.59

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
SCHEMBL6246378 0.94 GHSR (0.73) GHSRDHFR
SCHEMBL6339539 0.85 GHSR (0.72) GHSRDHFR
SCHEMBL6353346 0.84 GHSR (0.70) GHSRDHFR
SCHEMBL6248057 0.83 HEXA (0.54) DHFR
SCHEMBL6342213 0.81 GHSR (0.87) GHSRDHFR
Bromide SCHEMBL6262008 0.81 HEXA (0.53) DHFR
SCHEMBL3632627 0.81 GHSR (0.67) GHSRDHFR
SCHEMBL3632486 0.81 GHSR (0.77) GHSRDHFR
Bromide SCHEMBL6262003 0.80 HEXA (0.51) DHFR
SCHEMBL3635041 0.80 GHSR (1.00) GHSRDHFR

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-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 — — WO disclosed
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