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SCHEMBL1649860

SCHEMBL1649860

NCCCCC(N)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 13/20 0.83
▸ F2 P00734 1/20 0.69
▸ PREP P48147 1/20 0.61
▸ MRGPRX2 Q96LB1 1/20 0.60
▸ OPRD1 P41143 1/20 0.60

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
SCHEMBL150645 1.00 BDKRB2 (0.83) BDKRB2F2PREPMRGPRX2OPRD1
SCHEMBL20298769 0.99 BDKRB2 (0.81) BDKRB2F2PREPMRGPRX2OPRD1
SCHEMBL29930311 0.95 BDKRB2 (0.76) BDKRB2F2OPRD1
Bradykinin SCHEMBL3047797 0.94 BDKRB2 (0.82) BDKRB2F2PREPMRGPRX2OPRD1
Bradykinin SCHEMBL29530927 0.92 BDKRB2 (0.79) BDKRB2F2PREPMRGPRX2OPRD1
SCHEMBL29484957 0.92 BDKRB2 (0.79) BDKRB2F2PREPMRGPRX2OPRD1
SCHEMBL29404860 0.92 BDKRB2 (0.79) BDKRB2F2PREPMRGPRX2OPRD1
SCHEMBL25335885 0.91 BDKRB2 (0.68) BDKRB2F2OPRD1
SCHEMBL30526215 0.91 BDKRB2 (0.68) BDKRB2F2OPRD1
SCHEMBL20298701 0.90 BDKRB2 (0.75) BDKRB2F2PREPOPRD1

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
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed
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