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SCHEMBL19953938

SCHEMBL19953938

CNC(=O)C(CC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)C(C)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.58
▸ IL23R Q5VWK5 5/20 0.54
▸ OPRL1 P41146 7/20 0.50
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 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
SCHEMBL17176397 0.97 IL23R (0.55) TFPIIL23ROPRL1OPRM1OPRD1
SCHEMBL30413829 0.94 TFPI (0.60) TFPIIL23ROPRL1OPRM1OPRD1
SCHEMBL22807671 0.91 TFPI (0.64) TFPIIL23ROPRL1
SCHEMBL31504570 0.91 TFPI (0.67) TFPIIL23ROPRL1OPRM1OPRD1
SCHEMBL29372983 0.91 TFPI (0.64) TFPIIL23ROPRL1
SCHEMBL30412542 0.90 TFPI (0.59) TFPIIL23R
SCHEMBL29418231 0.89 TFPI (0.62) TFPIIL23R
SCHEMBL29426546 0.89 TFPI (0.62) TFPIIL23R
SCHEMBL31031575 0.88 TFPI (0.64) TFPIIL23ROPRL1
SCHEMBL30973957 0.88 TFPI (0.64) TFPIIL23ROPRL1

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
US-9914754-B2 Conjugates of neurotensin or neurotensin analogs and uses thereof ANGIOCHEM INC. (CA) 2018-03-13 — — US disclosed
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