SCHEMBL3397634

SCHEMBL3397634

CCCN1CCCCC1c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.41
CHRNA7 P36544 1/20 0.38
DRD1 P21728 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
APP P05067 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CFB P00751 3/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL4318786 0.80 CHRNB2 (0.54) CHRNA7DRD1TDP1CFBDRD2
SCHEMBL9281430 0.76 MAOB (0.43) PARP1
SCHEMBL7298696 0.73 DRD2 (0.57) DRD1DRD2DRD4DRD5DRD3
SCHEMBL7797276 0.72 CHRNB2 (0.51) CHRNA7DRD1CYP3A4TDP1CFB
SCHEMBL9286633 0.72 MAOA (0.44)
SCHEMBL18808206 0.71 CYP3A4 (0.54) CYP3A4CYP2C9APPDRD3
SCHEMBL11938963 0.71 CHRNA7 (0.47) CHRNA7DRD1DRD2DRD4DRD5
SCHEMBL28698345 0.71 CSNK2A1 (0.37) CHRNA7DRD2DRD4DRD3
SCHEMBL28309573 0.71 CHRNB2 (0.50) CHRNA7DRD1CFBDRD2DRD4
SCHEMBL6798137 0.71 CHRNB2 (0.50) CHRNA7DRD1CYP3A4TDP1CFB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP claimed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO claimed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed