SCHEMBL7219447

SCHEMBL7219447

COc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN(C(=O)O)CC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 4/20 0.54
PTGDR2 Q9Y5Y4 3/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KAT2B Q92831 1/20 0.49
MPO P05164 1/20 0.49
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
S1PR2 O95136 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL7225632 0.90 KMT2A (0.52) SMN1; SMN2LMNAMAPTPTGDR2MEN1
SCHEMBL6474125 0.90 PTGDR2 (0.64) LMNAPTGDR2MEN1KMT2AKDM4E
SCHEMBL6531341 0.88 SMN1; SMN2 (0.52) SMN1; SMN2LMNAMAPTPTGDR2MEN1
SCHEMBL6481086 0.86 KDM4E (0.47) SMN1; SMN2LMNAMAPTPTGDR2MEN1
Hydrochloric Acid SCHEMBL6482029 0.83 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL7220006 0.82 MAPT (0.54) MAPTPTGDR2MEN1KMT2AKDM4E
SCHEMBL6475986 0.82 KDM4E (0.47) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL6474119 0.80 PTGDR2 (0.56) MAPTPTGDR2MEN1KMT2AKDM4E
SCHEMBL7220867 0.79 MAPT (0.53) LMNAMAPTPTGDR2MEN1KMT2A
SCHEMBL6475604 0.79 HDAC1 (0.49) SMN1; SMN2LMNAMAPTMEN1KMT2A

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-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 US disclosed