SCHEMBL9728108

SCHEMBL9728108

CC(C)CC(NC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)C(N)CO)C(C)O)C(=O)O.O=C(CNC(=O)C(CO)NC(=O)C1CCCN1C(=O)C1CCCN1)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.56
▸ CTSB P07858 2/20 0.56
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SORT1 Q99523 1/20 0.52
▸ CXCR4 P61073 5/20 0.51
▸ GNRHR P30968 2/20 0.50
▸ PRMT1 Q99873 1/20 0.49
▸ OPRD1 P41143 1/20 0.46
▸ GLP1R P43220 6/20 0.46
▸ GIPR P48546 6/20 0.46
▸ C5AR1 P21730 1/20 0.46
▸ ABCC2 Q92887 1/20 0.46

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
SCHEMBL9728122 0.93 CAPN1 (0.64) CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL30906342 0.82 CAPN1 (0.53) CAPN1CTSBPRMT1OPRD1GLP1R
SCHEMBL30906519 0.81 NPY1R (0.54) CAPN1CTSBCXCR4GLP1RGIPR
SCHEMBL30974107 0.81 CXCR4 (0.59) CAPN1CTSBCXCR4PRMT1C5AR1
SCHEMBL30906366 0.81 NPY1R (0.53) CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL31362650 0.80 CAPN1 (0.64) CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL31362653 0.80 CAPN1 (0.62) CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL31452907 0.79 CAPN1 (0.58) CAPN1CTSBCXCR4PRMT1OPRD1
SCHEMBL30973986 0.79 CXCR4 (0.60) CXCR4PRMT1GLP1RGIPRC5AR1
SCHEMBL30906348 0.79 NPY1R (0.51) CAPN1CTSBCXCR4GLP1RGIPR

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-5175148-A Synthetic peptide; immunocontraceptive agent, diagnosis of autoimmune infertility THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1992-12-29 — — US disclosed
Send feedback