SCHEMBL6818255

SCHEMBL6818255

Nc1c(-c2ccc(OC(F)F)cc2Cl)ccnc1NCCCCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.36
CCNT1 O60563 2/20 0.33
CRHR2 Q13324 1/20 0.32
BCHE P06276 3/20 0.31
ACHE P22303 3/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PDE4D Q08499 2/20 0.31
ABCB11 O95342 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
LNPEP Q9UIQ6 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
SCHEMBL6817674 0.97 CRHR1 (0.36) CRHR1CCNT1CRHR2BCHEACHE
SCHEMBL6817533 0.85 HSP90AA1 (0.37) CRHR1CCNT1CRHR2
SCHEMBL6818015 0.82 ACP1 (0.36) CRHR1CCNT1CRHR2
SCHEMBL6813647 0.79 ACP1 (0.43) CRHR1CRHR2
SCHEMBL6817777 0.77 BRD4 (0.37) CRHR1
SCHEMBL6082116 0.76 CRHR1 (0.42) CRHR1
SCHEMBL6081745 0.76 CRHR1 (0.40) CRHR1
SCHEMBL6817843 0.74 SCN9A (0.37) CRHR1CCNT1
SCHEMBL6817664 0.73 KMT5A (0.34) CRHR1ACHE
SCHEMBL6082453 0.73 CRHR1 (0.42) CRHR1GSK3B

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
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 WO disclosed