SCHEMBL5131651

SCHEMBL5131651

COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3Cc4ccccc43)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 10/20 0.62
▸ ALDH1A1 P00352 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CHRM4 P08173 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ CCR3 P51677 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ PTK2B Q14289 1/20 0.41

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
SCHEMBL7602058 0.86 NPY2R (0.67) NPY2RKMT2AMEN1MAPT
SCHEMBL5081431 0.82 NPY2R (0.67) NPY2RALDH1A1KMT2AMEN1LMNA
SCHEMBL5084525 0.81 NPY2R (0.74) NPY2RALDH1A1KMT2AMEN1LMNA
SCHEMBL5080889 0.81 NPY2R (0.66) NPY2RALDH1A1KMT2AMEN1LMNA
SCHEMBL5080923 0.79 NPY2R (0.74) NPY2RALDH1A1KMT2AMEN1LMNA
SCHEMBL7600687 0.79 NPY2R (0.77) NPY2RALDH1A1KMT2AMEN1LMNA
SCHEMBL14590786 0.79 ALDH1A1 (0.69) NPY2RALDH1A1KMT2AMEN1LMNA
SCHEMBL5083778 0.77 NPY2R (0.71) NPY2RALDH1A1KMT2AMEN1LMNA
SCHEMBL5079928 0.77 NPY2R (1.00) NPY2RALDH1A1KMT2AMEN1LMNA
SCHEMBL5084490 0.77 NPY2R (0.74) NPY2RALDH1A1KMT2AMEN1LMNA

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-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 — — US claimed
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