SCHEMBL11004751

SCHEMBL11004751

O=C1COc2ccc(CCCCCc3ccc4c(c3)NC(=O)CO4)cc2N1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.70
NR3C2 P08235 3/20 0.62
MMP12 P39900 1/20 0.58
DRD2 P14416 5/20 0.53
DRD4 P21917 5/20 0.53
DRD3 P35462 3/20 0.53
HTR1A P08908 3/20 0.53
HTR2A P28223 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50

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
SCHEMBL11006154 1.00 PARP1 (0.70) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL11002313 0.92 PARP1 (0.77) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL4173613 0.91 PARP1 (0.63) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL21177010 0.90 PARP1 (0.79) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL4178404 0.90 PARP1 (0.65) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL21207261 0.90 PARP1 (0.74) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL9244955 0.90 PARP1 (0.65) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL4257167 0.88 PARP1 (0.70) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL12844300 0.86 PARP1 (0.78) PARP1NR3C2MMP12DRD2DRD4
SCHEMBL9437898 0.86 PARP1 (0.68) PARP1NR3C2MMP12DRD2DRD4

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
US-4552876-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS USV PHARMACEUTICAL CORP. (US) 1985-11-12 US disclosed