SCHEMBL7012282

SCHEMBL7012282

CCc1nnc(SCc2cc(N3CCOCC3)cc(N(Cc3ccccc3)C(=O)OC(C)(C)C)n2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
NPY1R P25929 6/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
CETP P11597 1/20 0.34
TSHR P16473 1/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPK1 P28482 1/20 0.33
PDK1 Q15118 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7010773 0.93 NPY1R (0.35) HTR2CSLC6A4NPY1RALDH1A1SMN1; SMN2
SCHEMBL7022375 0.92 NPY1R (0.36) HTR2CSLC6A4NPY1RALDH1A1SMN1; SMN2
SCHEMBL7016610 0.91 NPY1R (0.35) HTR2CSLC6A4NPY1RSMN1; SMN2TSHR
SCHEMBL7016803 0.91 MRGPRX4 (0.41) NPY1RALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL7020395 0.86 NPY1R (0.34) NPY1RALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL7021884 0.86 AKT1 (0.35) NPY1RSMN1; SMN2LMNAMAPT
SCHEMBL7014606 0.86 NPY1R (0.32) NPY1R
SCHEMBL7014609 0.85 AKT1 (0.35) NPY1RALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL7018031 0.85 TSHR (0.35) NPY1RALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7022451 0.84 NPY1R (0.36) NPY1RSMN1; SMN2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed