SCHEMBL7103719

SCHEMBL7103719

CNN1CC[C@H](c2cncc(F)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
HDAC4 P56524 8/20 0.38
JAK2 O60674 1/20 0.34
NTRK1 P04629 1/20 0.34
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL7101655 1.00 RIPK1 (0.38) RIPK1HDAC4JAK2NTRK1TLR7
SCHEMBL7098415 0.92 JAK2 (0.37) RIPK1HDAC4JAK2NTRK1
SCHEMBL7102968 0.92 JAK2 (0.37) RIPK1HDAC4JAK2NTRK1
SCHEMBL7097553 0.90 RIPK1 (0.36) RIPK1HDAC4JAK2NTRK1
SCHEMBL7097829 0.90 RIPK1 (0.36) RIPK1HDAC4JAK2NTRK1
SCHEMBL7098836 0.86 RIPK1 (0.39) RIPK1HDAC4JAK2NTRK1
SCHEMBL7103958 0.82 PROKR1 (0.36) HDAC4
SCHEMBL7484205 0.82 PROKR1 (0.36) HDAC4
SCHEMBL7487273 0.80 CHRNB2 (0.39) TLR7
SCHEMBL7097543 0.80 CHRNB2 (0.39) TLR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500402-A 2003-01-07 JP claimed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP claimed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO claimed