SCHEMBL7722829

SCHEMBL7722829

C=CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.72
MAPT P10636 11/20 0.69
KDM4E B2RXH2 6/20 0.69
LMNA P02545 5/20 0.69
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
NPY5R Q15761 5/20 0.66
ALDH1A1 P00352 4/20 0.62
HPGD P15428 4/20 0.61
RORC P51449 2/20 0.61
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
HCRTR1 O43613 1/20 0.60
PAX8 Q06710 1/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
BLM P54132 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
REV1 Q9UBZ9 1/20 0.59

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
SCHEMBL7977191 0.85 NPSR1 (0.78) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL7722815 0.84 NPSR1 (1.00) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL13144117 0.83 NPSR1 (0.66) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL4726991 0.83 NPSR1 (0.66) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL4726995 0.83 NPSR1 (0.66) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL7977193 0.83 NPSR1 (0.78) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL14199692 0.83 MAPT (0.82) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL7726122 0.82 NPSR1 (0.76) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL7726129 0.81 NPY5R (0.61) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL7722872 0.81 MAPT (0.75) NPSR1MAPTKDM4ELMNAMEN1

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-6399631-B1 3-AMIDO OR 3-SULFONAMIDO; EATING DISORDERS IN HUMANS, DOGS AND CATS PFIZER INC. 2002-06-04 US disclosed