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Sugi Predict / Compounds / SCHEMBL2193571

SCHEMBL2193571

SCHEMBL2193571

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)CCC(N)=O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 13/20 0.67
▸ GLP1R P43220 1/20 0.54
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ NMBR P28336 1/20 0.53

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
SCHEMBL6510905 0.98 GRPR (0.68) GRPRGLP1ROPRM1OPRD1
SCHEMBL29663974 0.95 GRPR (0.68) GRPRGLP1ROPRM1OPRD1
SCHEMBL31069834 0.94 GRPR (0.66) GRPRGLP1RNMBR
SCHEMBL30118089 0.93 GRPR (0.65) GRPRGLP1ROPRM1OPRD1
SCHEMBL38661265 0.92 GRPR (0.65) GRPRGLP1ROPRM1OPRD1NMBR
SCHEMBL30118082 0.91 GRPR (0.65) GRPRGLP1R
SCHEMBL31069841 0.91 GRPR (0.61) GRPRGLP1ROPRM1OPRD1NMBR
SCHEMBL7237024 0.91 GRPR (0.74) GRPRNMBR
SCHEMBL29484960 0.91 GRPR (0.67) GRPRGLP1RNMBR
SCHEMBL30816315 0.91 GRPR (0.63) GRPRGLP1RNMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217955-A Treating colon, prostate or breast cancer in mammals BIOMEASURE, INC. (US) 1993-06-08 — — US claimed
US-20110171191-A1 SUPPRESSION OF NEUROENDOCRINE DISEASES SYNTAXIN LIMITED (GB) 2011-07-14 — — US disclosed
US-5736517-A ADMINISTERING TO TREAT COLON, PROSTATE OR BREAST CANCER BIOMEASURE, INC. (US) 1998-04-07 — — US disclosed
US-5217955-A Treating colon, prostate or breast cancer in mammals BIOMEASURE, INC. (US) 1993-06-08 — — US disclosed
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