SCHEMBL7958670

SCHEMBL7958670

Cc1nc(Cl)c(N)c(N2[C@H](C)CCC[C@@H]2C)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.43
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
HSD11B1 P28845 1/20 0.34
PDE10A Q9Y233 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL7958841 0.75 NPY5R (0.39) NPY5RALDH1A1HPGD
SCHEMBL5774307 0.71 MEN1 (0.47) NPY5RGFERPDE10A
SCHEMBL112929 0.67 HTT (0.46) ALDH1A1HPGDPDE10A
SCHEMBL21159616 0.64 HSD11B1 (0.31) HSD11B1
SCHEMBL29619235 0.62 PDE10A (0.49) ALDH1A1HPGDPDE10A
SCHEMBL9830230 0.62 KMT2A (0.37) ALDH1A1
SCHEMBL116212 0.62 HTT (0.37) NPY5RALDH1A1PDE10A
SCHEMBL82728 0.61 JAK3 (0.40) NPY5RALDH1A1HPGDGFER
SCHEMBL19917147 0.61 PDE10A (0.48) ALDH1A1HPGDPDE10A
SCHEMBL27899278 0.60 ADORA2A (0.62) NPY5R

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
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed