SCHEMBL8838938

SCHEMBL8838938

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.46
▸ CTSD P07339 3/20 0.45
▸ BACE1 P56817 3/20 0.45
▸ NPY2R P49146 5/20 0.43
▸ NPY4R P50391 5/20 0.43
▸ NPY5R Q15761 5/20 0.43
▸ NPY1R P25929 4/20 0.43
▸ NTSR2 O95665 2/20 0.43
▸ NTSR1 P30989 2/20 0.43
▸ SORT1 Q99523 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ AGTR1 P30556 1/20 0.42
▸ AGTR2 P50052 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42

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
SCHEMBL8838927 1.00 CALCRL (0.46) CALCRLCTSDBACE1NPY2RNPY4R
SCHEMBL29844485 0.91 CALCRL (0.48) CALCRLCTSDBACE1NPY2RNPY4R
SCHEMBL30974359 0.88 BACE1 (0.53) CALCRLCTSDBACE1NPY2RNPY4R
SCHEMBL30658587 0.87 F2 (0.46) CTSDBACE1NPY2RNPY4RNPY5R
SCHEMBL30123066 0.86 NTSR2 (0.48) CALCRLCTSDBACE1NTSR2NTSR1
SCHEMBL30495649 0.85 NPY2R (0.50) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL30844349 0.85 CALCRL (0.47) CALCRLCTSDBACE1NTSR2NTSR1
SCHEMBL30844323 0.84 CALCRL (0.49) CALCRLCTSDBACE1NPY2RNPY4R
SCHEMBL30844326 0.84 F2 (0.48) CALCRLCTSDBACE1NPY2RNPY4R
SCHEMBL9436235 0.84 CALCRL (0.45) CALCRLNTSR2NTSR1SORT1F2

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
US-RE35491-E DIAGNOSTIC SCREENING MALIGNANCY BY A PROBE POLYNUCLEOTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-04-08 — — US claimed
US-4699877-A Methods and compositions for detecting human tumors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1987-10-13 — — US disclosed
Send feedback