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SCHEMBL7081783

SCHEMBL7081783

CC(NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)CNC(=O)C(N)CO)C(=O)NC(C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(C(=O)NC(CO)C(=O)NCC(=O)NC(CO)C(=O)O)C(C)O)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 1/20 0.48
▸ CD274 Q9NZQ7 1/20 0.48
▸ OPRL1 P41146 5/20 0.47
▸ OPRM1 P35372 3/20 0.43
▸ OPRD1 P41143 3/20 0.43
▸ OPRK1 P41145 1/20 0.42
▸ PRMT1 Q99873 1/20 0.40
▸ CTSD P07339 1/20 0.40
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL7081786 1.00 PDCD1LG2 (0.48) PDCD1LG2CD274OPRL1OPRM1OPRD1
SCHEMBL7077712 0.93 OPRL1 (0.47) PDCD1LG2CD274OPRL1OPRM1OPRD1
SCHEMBL30541214 0.92 OPRD1 (0.44) PDCD1LG2CD274OPRL1OPRM1OPRD1
SCHEMBL29867777 0.86 OPRL1 (0.44) PDCD1LG2CD274OPRL1OPRM1OPRD1
SCHEMBL30452431 0.85 CD274 (0.61) PDCD1LG2CD274OPRL1OPRM1OPRD1
SCHEMBL29994005 0.84 PDCD1LG2 (0.51) PDCD1LG2CD274OPRM1OPRD1CTSD
SCHEMBL29384747 0.84 PDCD1LG2 (0.61) PDCD1LG2CD274CTSDBACE1
SCHEMBL29382890 0.84 PDCD1LG2 (0.61) PDCD1LG2CD274CTSDBACE1
SCHEMBL29695539 0.84 PDCD1LG2 (0.45) PDCD1LG2CD274OPRM1OPRD1OPRK1
SCHEMBL29591289 0.82 KEAP1 (0.42) PDCD1LG2CD274OPRL1OPRM1OPRD1

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
WO-2003064619-A2 LONG-ACTING HORMONE AND GROWTH FACTOR COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OFNEW YORK (US) 2003-08-07 — — WO claimed
WO-2003064677-A2 LONG-ACTING FOLLICLE STIMULATING HORMONE ANALOGUES AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-08-07 — — WO claimed
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