SCHEMBL10653336

SCHEMBL10653336

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 8/20 0.49
▸ FNTB P49356 8/20 0.49
▸ PGGT1B P53609 8/20 0.49
▸ LMNA P02545 2/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ CYP3A4 P08684 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A3 Q01959 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
SCHEMBL10655585 1.00 FNTA (0.49) FNTAFNTBPGGT1BLMNAPTPN1
SCHEMBL10653360 0.97 LMNA (0.48) FNTAFNTBPGGT1BLMNAPTPN1
SCHEMBL10657196 0.97 LMNA (0.48) FNTAFNTBPGGT1BLMNAPTPN1
SCHEMBL10654417 0.94 LMNA (0.47) FNTAFNTBPGGT1BLMNAPTPN1
SCHEMBL10657996 0.94 LMNA (0.47) FNTAFNTBPGGT1BLMNAPTPN1
Ambamustine SCHEMBL62822 0.91 LMNA (0.41) FNTAFNTBPGGT1BLMNAPTPN1
Ambamustine SCHEMBL1419557 0.90 LMNA (0.40) FNTAFNTBPGGT1BLMNAPTPN1
SCHEMBL11455957 0.89 PTPN1 (0.44) FNTAFNTBPGGT1BLMNAPTPN1
SCHEMBL10657935 0.89 LMNA (0.55) LMNAPTPN1KMT2ACYP3A4ALDH1A1
SCHEMBL11134541 0.86 PTPN1 (0.41) FNTAFNTBPGGT1BLMNAPTPN1

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-4743590-A METHIONINE, 3-(P-FLUOROPHENYL)ALANINE, 3-(M-BIS(2-CHLOROETHYL)AMINOPHENYL)ALANINE DEBARBIERI AUGUSTO (IT) 1988-05-10 — — US claimed
US-4540683-A In vitro and in vivo treatment of cancer cells and treatment of viruses with a tripeptide compound PROTER S.P.A. (IT) 1985-09-10 — — US claimed
US-4508710-A DICHLORODIETHYLAMINOPHENYLALANINE, PARAFLUOROPHENYLALANINE AND METHIONINE PROTER S.P.A. (IT) 1985-04-02 — — US claimed
US-4740501-A ANTITUMOR AGENT PROTER S.P.A. (IT) 1988-04-26 — — US disclosed
Send feedback