SCHEMBL13403295

SCHEMBL13403295

Cc1ccnc(N2CCCC(C)C2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 4/20 0.54
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
GPBAR1 Q8TDU6 4/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.47
PDE8B O95263 1/20 0.46
SORD Q00796 1/20 0.46
DYRK1A Q13627 3/20 0.44
MAP4K4 O95819 1/20 0.43

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
SCHEMBL23592772 0.84 MAP4K4 (0.48) KDM4EHSD17B10ALDH1A1TSHRMEN1
SCHEMBL13384568 0.81 DYRK1A (0.42) KDM4EHSD17B10ALDH1A1TSHRMEN1
SCHEMBL13403157 0.81 KDM4E (0.54) KDM4EHSD17B10ALDH1A1KMT2AHPGD
SCHEMBL13703140 0.80 KDM4E (0.46) KDM4EHSD17B10TSHRGPBAR1HPGD
SCHEMBL26047168 0.80 PDE8B (0.55) KDM4EHSD17B10ALDH1A1TSHRGPBAR1
SCHEMBL30637331 0.80 KDM4E (0.50) KDM4EHSD17B10ALDH1A1TSHRGPBAR1
SCHEMBL26051213 0.80 PDE8B (0.55) KDM4EHSD17B10ALDH1A1TSHRGPBAR1
SCHEMBL13806030 0.80 SORD (0.55) KDM4EHSD17B10ALDH1A1TSHRHPGD
SCHEMBL7904079 0.80 SORD (0.55) KDM4EHSD17B10ALDH1A1TSHRHPGD
SCHEMBL18228454 0.80 SORD (0.55) KDM4EHSD17B10ALDH1A1TSHRHPGD

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-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed