SCHEMBL20190338

SCHEMBL20190338

NC(=O)CCN(COCCCS(=O)(=O)NCCc1cccc(OC2CCCC2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 9/20 0.46
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ AKR1C3 P42330 2/20 0.35
▸ KAT6A Q92794 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PLAT P00750 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ PRSS1 P07477 1/20 0.34

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
SCHEMBL20188455 0.92 DUT (0.47) DUTNPC1RAB9AMTNR1AAKR1C3
SCHEMBL21315534 0.82 DUT (0.57) DUT
SCHEMBL21315538 0.82 DUT (0.57) DUT
SCHEMBL20188149 0.82 DUT (0.45) DUTNPC1RAB9AMTNR1AAKR1C3
SCHEMBL20188045 0.79 DUT (0.51) DUTNPC1RAB9AMTNR1AAKR1C3
SCHEMBL20188224 0.78 DUT (0.51) DUTNPC1RAB9AMTNR1AAKR1C3
SCHEMBL20191202 0.77 DUT (0.49) DUTKCNH2
SCHEMBL20187971 0.77 DUT (0.49) DUTNPC1RAB9AMTNR1AKAT6A
SCHEMBL20188526 0.76 DUT (0.51) DUTNPC1RAB9AMTNR1AKAT6A
SCHEMBL21315520 0.73 DUT (0.58) DUT

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-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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