SCHEMBL7019783

SCHEMBL7019783

CCc1nnc(SCc2cc(N3CCOCC3)cc(C(=O)O)n2)s1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.43
KCNH2 Q12809 2/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PIK3C2B O00750 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CFTR P13569 1/20 0.35

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
SCHEMBL7018463 0.89 NPY1R (0.43) NPY1RKCNH2TSHRLMNAKMT2A
SCHEMBL7012960 0.80 NPY1R (0.46) NPY1RKCNH2MAPT
SCHEMBL7012855 0.78 NPY1R (0.56) NPY1RKCNH2
SCHEMBL7012282 0.76 HTR2C (0.38) NPY1RTSHRLMNAPOLBKMT2A
SCHEMBL7015448 0.75 NPY1R (0.49) NPY1RKCNH2TSHRPIK3C2B
SCHEMBL12946434 0.75 NPY1R (0.51) NPY1RKCNH2
SCHEMBL7019032 0.75 NPY1R (0.55) NPY1RKCNH2
SCHEMBL7010773 0.74 NPY1R (0.35) NPY1RLMNAKMT2AALDH1A1PIK3C2B
SCHEMBL7016178 0.74 NPY1R (0.50) NPY1R
SCHEMBL7011726 0.73 NPY1R (0.51) NPY1RKCNH2

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