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SCHEMBL17527539

SCHEMBL17527539

CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCN)NC(=O)C(CCCNN)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)CCOCCOCCOCCN=[N+]=[N-])C(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 11/20 0.60
▸ NTSR2 O95665 4/20 0.60
▸ SORT1 Q99523 3/20 0.57
▸ NPY1R P25929 2/20 0.56
▸ KDM1A O60341 1/20 0.55
▸ MAOB P27338 1/20 0.55
▸ KDM5A P29375 1/20 0.55
▸ KDM1B Q8NB78 1/20 0.55
▸ NMUR2 Q9GZQ4 1/20 0.53
▸ OPRD1 P41143 2/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ OPRK1 P41145 1/20 0.53

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
SCHEMBL17525278 0.95 NTSR1 (0.58) NTSR1NTSR2SORT1NPY1RKDM1A
SCHEMBL20808279 0.89 KDM1A (0.61) NTSR1NTSR2NPY1RKDM1AMAOB
SCHEMBL31738531 0.82 NTSR1 (0.66) NTSR1NTSR2SORT1NPY1RKDM1A
SCHEMBL31548697 0.82 NTSR1 (0.66) NTSR1NTSR2SORT1NPY1RKDM1A
SCHEMBL29368585 0.81 NTSR1 (0.63) NTSR1NTSR2SORT1NPY1RKDM1A
Neurotensin SCHEMBL29357707 0.80 NTSR1 (0.70) NTSR1NTSR2SORT1NPY1RNMUR2
Neurotensin SCHEMBL29851748 0.80 NTSR1 (0.70) NTSR1NTSR2SORT1NPY1RNMUR2
SCHEMBL29461643 0.79 NPY2R (0.63) NTSR1NTSR2SORT1NPY1RKDM1A
SCHEMBL30432228 0.79 NPY2R (0.62) NTSR1NTSR2SORT1NPY1RKDM1A
SCHEMBL30607402 0.79 NTSR1 (0.66) NTSR1NTSR2SORT1OPRD1OPRM1

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
WO-2016025129-A1 CONJUGATION OF PHARMACEUTICALLY ACTIVE AGENTS WITH TRANSTHYRETIN LIGANDS THROUGH ADJUSTABLE LINKERS TO INCREASE SERUM HALF-LIFE ALHAMADSHEH MAMOUN M (US) 2016-02-18 — — WO disclosed
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