SCHEMBL7164209

SCHEMBL7164209

CC1(C2C=Cc3ccccc32)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA7 P36544 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
PRCP P42785 1/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 1/20 0.31
APAF1 O14727 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A4 P31645 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
SCHEMBL8149561 0.82 HTR6 (0.33) CHRNA7PRCPHTR6HTR2A
SCHEMBL8157271 0.80 HTR2A (0.34) HTR6HTR2A
SCHEMBL2806909 0.80 BRD4 (0.31) BRD4CCL2HTR6HTR2A
SCHEMBL6427869 0.79 CHRNA7 (0.31) CHRNA7TSHR
SCHEMBL11034547 0.79 HTR6 (0.33) CHRNA7TP53HTR6HTR2ACYP3A4
SCHEMBL17386884 0.77 HTR2A (0.34) HTR6HTR2A
SCHEMBL28189268 0.73 HTR6 (0.33) HTR6HTR2A
SCHEMBL7719552 0.73 HTR2A (0.36) SMN1; SMN2TP53TSHRPRCPBRD4
SCHEMBL6290100 0.73 CHRM3 (0.32)
SCHEMBL6294599 0.73 CHRM3 (0.32)

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-1341775-A2 PROCESS FOR THE PREPARATION OF MORPHOLINONES Ciba SC Holding AG (CH) 2003-09-10 EP disclosed
EP-1263860-A1 NEW 3-ARYLBENZOFURANONES WITH ELECTRON-WITHDRAWING SUBSTITUENTS AS STABILIZERS Ciba SC Holding AG (CH) 2002-12-11 EP disclosed
WO-2002048123-A2 PROCESS FOR THE PREPARATION OF MORPHOLINONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO disclosed
WO-2001059000-A1 NEW 3-ARYLBENZOFURANONES WITH ELECTRON-WITHDRAWING SUBSTITUENTS AS STABILIZERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-08-16 WO disclosed