SCHEMBL12158643

SCHEMBL12158643

N=Cc1ccc2c(n1)NCCC2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.36
ITGAV P06756 12/20 0.36
UHRF1 Q96T88 1/20 0.34
CXCR4 P61073 5/20 0.34
ITGA2B P08514 1/20 0.34
NNMT P40261 1/20 0.33
ITGB5 P18084 3/20 0.32
ITGB6 P18564 2/20 0.32
ITGB8 P26012 1/20 0.32
ITGB1 P05556 1/20 0.32

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
SCHEMBL325029 0.83 ITGB3 (0.39) ITGB3ITGAVCXCR4ITGA2BNNMT
SCHEMBL16607409 0.83 ITGB3 (0.36) ITGB3ITGAVUHRF1CXCR4ITGA2B
SCHEMBL20091210 0.80 UHRF1 (0.36) ITGB3ITGAVUHRF1CXCR4ITGA2B
SCHEMBL325441 0.79 NPC1 (0.39) ITGB3ITGAVCXCR4ITGA2BNNMT
SCHEMBL325440 0.79 NPC1 (0.39) ITGB3ITGAVCXCR4ITGA2BNNMT
SCHEMBL10258928 0.79 NPC1 (0.39) ITGB3ITGAVCXCR4ITGA2BNNMT
SCHEMBL279665 0.77 UHRF1 (0.53) ITGB3ITGAVUHRF1CXCR4ITGA2B
SCHEMBL30474583 0.77 UHRF1 (0.53) ITGB3ITGAVUHRF1CXCR4ITGA2B
SCHEMBL18105218 0.76 ITGB3 (0.33) ITGB3ITGAVUHRF1CXCR4ITGA2B
SCHEMBL21329809 0.76 ITGAV (0.36) ITGB3ITGAVCXCR4ITGA2BITGB5

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
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP disclosed