SCHEMBL29425540

SCHEMBL29425540

C[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.41
OPRD1 P41143 8/20 0.41
OPRM1 P35372 4/20 0.41
OPRK1 P41145 1/20 0.41
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
FAAH O00519 3/20 0.37
SLC6A5 Q9Y345 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL31326252 1.00 TERT (0.41) TERTOPRD1OPRM1OPRK1MME
SCHEMBL2555751 0.96 TERT (0.43) TERTOPRD1OPRM1OPRK1MME
SCHEMBL29448560 0.93 TERT (0.41) TERTOPRD1OPRM1OPRK1MME
SCHEMBL29454351 0.90 ALDH1A1 (0.47) TERTOPRD1OPRM1OPRK1MME
SCHEMBL30099552 0.87 ALDH1A1 (0.44) TERTOPRD1OPRM1OPRK1MME
SCHEMBL30099553 0.87 ALDH1A1 (0.44) TERTOPRD1OPRM1OPRK1MME
SCHEMBL30546898 0.87 ALDH1A1 (0.44) TERTOPRD1OPRM1OPRK1MME
SCHEMBL18342371 0.86 SMN1; SMN2 (0.41) OPRD1OPRM1OPRK1MMEACE
SCHEMBL31194770 0.86 SMN1; SMN2 (0.41) OPRD1OPRM1OPRK1MMEACE
SCHEMBL29425543 0.86 SMN1; SMN2 (0.41) OPRD1OPRM1OPRK1MMEACE

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
EP-3962518-A1 IMMUNOGEN FOR PREVENTING OR TREATING FAMILIAL FRONTOTEMPORAL DEMENTIA (FTD) AND/OR AMYOTROPHIC LATERAL SCLEROSIS (ALS) Deutsches Zentrum für Neurodegenerative Erkrankungen e.V. (DZNE) (DE) 2022-03-09 EP disclosed