SCHEMBL20633489

SCHEMBL20633489

O=C(O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCCNc1ccccc1)NC(=O)C(CCCCNC1CCCC1)NCC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 14/20 0.41
▸ NMT2 O60551 13/20 0.41
▸ OPRM1 P35372 3/20 0.36
▸ OPRD1 P41143 3/20 0.36
▸ QRFPR Q96P65 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
SCHEMBL20634650 0.91 NMT1 (0.46) NMT1NMT2
SCHEMBL20633487 0.91 NMT1 (0.41) NMT1NMT2QRFPR
SCHEMBL23840117 0.90 NMT1 (0.40) NMT1NMT2OPRM1OPRD1QRFPR
SCHEMBL18760193 0.89 NMT1 (0.47) NMT1NMT2
SCHEMBL18785522 0.85 NMT1 (0.39) NMT1NMT2QRFPR
SCHEMBL18760191 0.85 NMT1 (0.44) NMT1NMT2
SCHEMBL18786235 0.84 EPHX1 (0.40) NMT1NMT2
SCHEMBL18785521 0.83 NMT1 (0.37) NMT1NMT2OPRM1OPRD1
SCHEMBL18760195 0.83 EPHX1 (0.42) NMT1NMT2
SCHEMBL23840017 0.80 NMT1 (0.46) NMT1NMT2

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-2019010485-A1 TREATMENT OF FIBROSIS SYMIC IP, LLC (US) 2019-01-10 — — WO disclosed
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