SCHEMBL7227315

SCHEMBL7227315

Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN(C(=O)O)CC3)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.47
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RCE1 Q9Y256 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
THRB P10828 1/20 0.45
PTGDR Q13258 1/20 0.45
CYP2C9 P11712 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6482074 0.88 HDAC1 (0.49) PTGDR2RXFP1TP53ALDH1A1POLB
Hydrochloric Acid SCHEMBL6481212 0.84 POLB (0.46) RXFP1TP53ALDH1A1POLBHPGD
SCHEMBL7220006 0.84 MAPT (0.54) PTGDR2ALDH1A1POLBMEN1KMT2A
SCHEMBL7220867 0.83 MAPT (0.53) PTGDR2TP53POLBCYP2C9MEN1
SCHEMBL6484850 0.82 LMNA (0.56) PTGDR2TP53POLBCYP2C9MEN1
SCHEMBL6474125 0.81 PTGDR2 (0.64) PTGDR2ALDH1A1PTGDRCYP2C9MEN1
SCHEMBL7219447 0.76 SMN1; SMN2 (0.56) PTGDR2RXFP1TP53ALDH1A1POLB
SCHEMBL6480721 0.74 PTGDR2 (0.58) PTGDR2ALDH1A1PTGDRCYP2C9MEN1
SCHEMBL6480665 0.74 KDM4E (0.60) PTGDR2ALDH1A1HPGDTDP1PTGDR
SCHEMBL6483292 0.73 PTGDR2 (0.58) PTGDR2ALDH1A1PTGDRCYP2C9MEN1

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