SCHEMBL10761203

SCHEMBL10761203

O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 3/20 0.60
▸ CTSC P53634 7/20 0.54
▸ LMNA P02545 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MME P08473 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43

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
SCHEMBL10765164 0.98 EED (0.63) EEDCTSCLMNATDP1MME
SCHEMBL10760562 0.88 EED (0.52) EEDCTSCACEALDH1A1POLB
SCHEMBL3919067 0.83 ITGB3 (0.51) EEDACE
SCHEMBL29576554 0.78 EED (0.47) EEDCTSCLMNAPRMT5WDR77
SCHEMBL30712861 0.77 EED (0.54) EEDCTSCMMEACEACE2
SCHEMBL31026629 0.77 CTSC (0.68) CTSCLMNATDP1MMEACE
SCHEMBL28122660 0.77 CTSC (0.68) CTSCLMNATDP1MMEACE
SCHEMBL601567 0.77 CTSC (0.68) CTSCLMNATDP1MMEACE
SCHEMBL21808154 0.77 CTSC (0.68) CTSCLMNATDP1MMEACE
SCHEMBL28122659 0.77 CTSC (0.68) CTSCLMNATDP1MMEACE

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-0214570-A2 N-alkylated tripeptides, process for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-18 — — EP disclosed
Send feedback