SCHEMBL30918787

SCHEMBL30918787

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.43
▸ QRFPR Q96P65 1/20 0.43
▸ OPRL1 P41146 5/20 0.43
▸ CXCR4 P61073 2/20 0.41
▸ NMT2 O60551 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ NPY5R Q15761 3/20 0.40
▸ NPY1R P25929 2/20 0.40
▸ NPY4R P50391 2/20 0.40
▸ NMUR2 Q9GZQ4 1/20 0.39
▸ NMUR1 Q9HB89 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
SCHEMBL17440322 0.91 QRFPR (0.42) TFPIQRFPROPRL1CXCR4NMT2
SCHEMBL13319653 0.91 QRFPR (0.42) TFPIQRFPROPRL1CXCR4NMT2
SCHEMBL29405094 0.88 ITGB3 (0.38) QRFPRNPY5RNPY1RNPY4R
SCHEMBL12646501 0.88 ITGB3 (0.38) QRFPRNPY5RNPY1RNPY4R
SCHEMBL10531786 0.88 QRFPR (0.40) TFPIQRFPROPRL1CXCR4NMT2
SCHEMBL23273242 0.88 TFPI (0.44) TFPIOPRL1NMT2NMT1NPY5R
SCHEMBL29580475 0.86 OPRL1 (0.45) TFPIOPRL1CXCR4NPY5RNPY1R
SCHEMBL6073057 0.86 NPY4R (0.46) QRFPRNMT2NMT1NPY5RNPY1R
SCHEMBL6073065 0.86 NPY4R (0.46) QRFPRNMT2NMT1NPY5RNPY1R
SCHEMBL13881399 0.86 QRFPR (0.43) TFPIQRFPROPRL1CXCR4NMT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903240-A Logic gate-type polypeptide with tumor specificity, probe, preparation method and application 甘肃天际生物科技有限公司 2024-04-19 — — CN claimed
CN-117903240-B Logic gate-type polypeptide with tumor specificity, probe, preparation method and application 甘肃天际生物科技有限公司 2024-12-24 — — CN disclosed
CN-117903240-A Logic gate-type polypeptide with tumor specificity, probe, preparation method and application 甘肃天际生物科技有限公司 2024-04-19 — — CN disclosed
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