SCHEMBL21581702

SCHEMBL21581702

CNCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(C)C(=O)N[C@@H](CC(N)=O)C(=O)NC(C(=O)SCC(F)(F)F)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.46
▸ TFPI P10646 1/20 0.43
▸ OPRM1 P35372 4/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL21581727 0.93 OPRD1 (0.47) OPRD1OPRM1OPRK1PTPN2PTPN1
SCHEMBL21581711 0.85 OPRD1 (0.45) OPRD1TFPIOPRM1OPRK1
SCHEMBL21581715 0.78 OPRD1 (0.44) OPRD1OPRM1OPRK1
SCHEMBL25627199 0.77 OPRD1 (0.46) OPRD1OPRM1OPRK1PTPN2PTPN1
SCHEMBL26454304 0.76 NPY4R (0.58) TFPI
SCHEMBL15839930 0.73 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL29649718 0.73 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL22435589 0.73 OPRD1 (0.52) OPRD1TFPI
SCHEMBL30874968 0.71 KISS1R (0.52) OPRD1TFPIOPRM1OPRK1
SCHEMBL26454272 0.70 NPY4R (0.61) TFPI

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-2019222805-A1 NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW THE UNIVERSITY OF SYDNEY (AU) 2019-11-28 — — WO disclosed
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