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Sugi Predict / Compounds / SCHEMBL30774306

SCHEMBL30774306

SCHEMBL30774306

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 5/20 0.43
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ GLP1R P43220 1/20 0.40
▸ MUS81 Q96NY9 1/20 0.40
▸ RAMP3 O60896 1/20 0.39
▸ CALCR P30988 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
SCHEMBL29757690 0.93 MAPK8 (0.47) OPRL1MAPK8MAPK9MAPK10ECE1
SCHEMBL30880884 0.86 VIPR1 (0.46) MAPK8MAPK9MAPK10ECE1GLP1R
SCHEMBL30308732 0.85 RXFP1 (0.41) OPRL1
SCHEMBL30006401 0.85 OPRM1 (0.46) OPRL1OPRM1OPRD1OPRK1
SCHEMBL30006921 0.85 OPRL1 (0.49) OPRL1
SCHEMBL31688351 0.84 GLP1R (0.43) ECE1GLP1RMUS81
SCHEMBL31393356 0.83 OPRM1 (0.43) OPRL1OPRM1OPRD1OPRK1
SCHEMBL29374718 0.82 TFPI (0.44) OPRM1OPRD1OPRK1
SCHEMBL29523429 0.82 RXFP1 (0.52) ECE1GLP1RMUS81
SCHEMBL31688348 0.81 VIPR1 (0.45) MAPK8MAPK9MAPK10ECE1GLP1R

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
CN-117487012-A anti-LILRB 4 antibodies or derivatives thereof for inhibiting the binding of fibronectin to LILRB4 东北泰克诺亚奇股份有限公司 2024-02-02 — — CN disclosed
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