SCHEMBL7144775

SCHEMBL7144775

CC(O)C1=CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TMEM97 Q5BJF2 5/20 0.48
SIGMAR1 Q99720 5/20 0.48
LNPEP Q9UIQ6 1/20 0.48
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA2A P08913 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
SCHEMBL31397205 0.84 GRM5 (0.50) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL11957019 0.82 GRM5 (0.57) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL21078113 0.82 GRM5 (0.57) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL19046612 0.80 GRM5 (0.58) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL12240997 0.80 GRM5 (0.55) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL6688964 0.80 GRM5 (0.57) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL17886619 0.80 GRM5 (0.55) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL9381267 0.80 GRM5 (0.55) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL8315932 0.79 MEN1 (0.57) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL11560889 0.79 GRM5 (0.57) GRM5MEN1KMT2ANPSR1SMN1; SMN2

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-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed