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SCHEMBL6232455

SCHEMBL6232455

CCC(C)C(NC(=O)C1CCCN1C(=O)C(N)CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 15/20 0.64
▸ NTSR1 P30989 15/20 0.64
▸ SORT1 Q99523 15/20 0.64
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ MAPK10 P53779 1/20 0.57

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
SCHEMBL6232463 1.00 NTSR2 (0.64) NTSR2NTSR1SORT1MAPK8MAPK9
SCHEMBL7461158 0.90 NTSR2 (0.64) NTSR2NTSR1SORT1
SCHEMBL31738532 0.90 NTSR1 (0.76) NTSR2NTSR1SORT1
SCHEMBL1421598 0.89 NTSR1 (0.72) NTSR2NTSR1SORT1
SCHEMBL1421605 0.89 NTSR1 (0.72) NTSR2NTSR1SORT1
SCHEMBL1421513 0.89 NTSR1 (0.72) NTSR2NTSR1SORT1
SCHEMBL1421525 0.89 NTSR1 (0.72) NTSR2NTSR1SORT1
SCHEMBL30320546 0.89 MAPK8 (0.59) NTSR2NTSR1SORT1MAPK8MAPK9
SCHEMBL1421931 0.88 OPRD1 (0.69) NTSR2NTSR1SORT1
SCHEMBL1421888 0.88 OPRD1 (0.69) NTSR2NTSR1SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002233-B1 HIGH-THROUGHPUT ASSAY PHARMACOPEIA INC (US) 2005-04-27 — — EP disclosed
US-5876946-A High-throughput assay PHARMACOPEIA, INC. (US) 1999-03-02 — — US disclosed