SCHEMBL30512013

SCHEMBL30512013

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.52
▸ NPY5R Q15761 8/20 0.52
▸ NPY1R P25929 8/20 0.52
▸ NPY2R P49146 5/20 0.52
▸ TFPI P10646 1/20 0.51
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ F2 P00734 2/20 0.49
▸ QRFPR Q96P65 1/20 0.49

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
SCHEMBL30405659 0.95 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL29502186 0.94 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL29679859 0.93 TFPI (0.56) NPY4RNPY5RNPY1RTFPI
SCHEMBL30211355 0.88 NPY4R (0.52) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL30880894 0.88 TFPI (0.53) TFPIOPRM1OPRD1OPRK1
SCHEMBL31462034 0.88 TFPI (0.55) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL30449877 0.88 IL23R (0.52) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL30450525 0.87 TFPI (0.54) NPY4RNPY5RNPY1RTFPIF2
SCHEMBL29479578 0.86 OPRM1 (0.53) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL31261768 0.86 NPY4R (0.57) NPY4RNPY5RNPY1RNPY2RTFPI

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-4440735-A1 A MICROCAPSULE AND METHODS OF MAKING AND USING SAME Vilnius University (LT) 2024-10-09 — — EP disclosed
WO-2023117364-A1 A MICROCAPSULE AND METHODS OF MAKING AND USING SAME VILNIUS UNIVERSITY (LT) 2023-06-29 — — WO disclosed
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