SCHEMBL7101894

SCHEMBL7101894

CNN1CCC[C@@H](c2cnc(Cl)c(F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 11/20 0.35
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7097819 1.00 PROKR1 (0.35) PROKR1HRH2HRH1HRH4HRH3
SCHEMBL7105294 0.96 PROKR1 (0.36) PROKR1HRH2HRH1HRH4HRH3
SCHEMBL7101818 0.96 PROKR1 (0.36) PROKR1HRH2HRH1HRH4HRH3
SCHEMBL7101243 0.92 EGLN1 (0.32) HRH4HRH3
SCHEMBL7102509 0.92 EGLN1 (0.32) HRH4HRH3
SCHEMBL7098888 0.90 EGLN1 (0.33) HRH2HRH1HRH4HRH3
SCHEMBL7102628 0.90 EGLN1 (0.33) HRH2HRH1HRH4HRH3
SCHEMBL7492594 0.87 PROKR1 (0.38) PROKR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7103451 0.87 PROKR1 (0.38) PROKR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7104089 0.86 CHRNB2 (0.38) PROKR1SLC6A2SLC6A4SLC6A3KCNH2

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 5 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
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO disclosed