SCHEMBL6843141

SCHEMBL6843141

CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cccc(N(CCCl)CCCl)c1)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.43
▸ MC3R P41968 2/20 0.43
▸ MC1R Q01726 2/20 0.43
▸ REN P00797 1/20 0.39
▸ CTSC P53634 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CTSD P07339 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ GHSR Q92847 1/20 0.36
▸ PSMB8 P28062 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
SCHEMBL6845514 1.00 MC4R (0.43) MC4RMC3RMC1RRENCTSC
SCHEMBL14366157 0.94 MC4R (0.42) MC4RMC3RMC1RRENCTSC
SCHEMBL29394608 0.83 CTSC (0.42) MC4RMC3RMC1RRENCTSC
SCHEMBL10972441 0.81 LMNA (0.43) LMNASMN1; SMN2PSMB8PSMB5
SCHEMBL10653540 0.81 LMNA (0.47) MC4RMC3RLMNASMN1; SMN2PSMB8
SCHEMBL6838403 0.81 LMNA (0.47) MC4RMC3RLMNASMN1; SMN2PSMB8
SCHEMBL6667620 0.80 PSMB5 (0.44) LMNASMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL11455942 0.80 CTSC (0.40) MC4RMC3RMC1RCTSCLMNA
SCHEMBL6666650 0.77 PSMB5 (0.40) LMNASMN1; SMN2PSEN1PSEN2APH1B
Ambamustine SCHEMBL62822 0.76 LMNA (0.41) LMNASMN1; SMN2

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-6767992-B1 USED FOR CHEMOTHERAPY AGAINST CANCERS AND IS USED ESPECIALLY FOR MELANOMAS PTC PHARMA AG (CH) 2004-07-27 — — US disclosed
EP-1129107-B1 METHOD FOR PRODUCING L-PROLYL-L-M-SARCOLYSYL-L-P-FLUOROPHENYLALANINE AND DERIVATIVES THEREOF PTC PHARMA AG (CH) 2003-12-17 — — EP disclosed
EP-1129107-A1 METHOD FOR PRODUCING L-PROLYL-L-M-SARCOLYSYL-L-P-FLUOROPHENYLALANINE AND DERIVATIVES THEREOF PTC Pharma AG (CH) 2001-09-05 — — EP disclosed
WO-2000031119-A1 METHOD FOR PRODUCING L-PROLYL-L-M-SARCOLYSYL-L-P-FLUOROPHENYLALANINE AND DERIVATIVES THEREOF PTC PHARMA AG (CH) 2000-06-02 — — WO disclosed
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