SCHEMBL8955003

SCHEMBL8955003

Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)O)cs1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.66
▸ CTSD P07339 1/20 0.50
▸ CTSE P14091 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9322207 0.92 REN (0.67) RENCTSDCTSE
Hydrochloric Acid SCHEMBL8955332 0.91 REN (0.66) RENCTSDCTSE
SCHEMBL7335450 0.82 REN (0.58) RENCTSDCTSE
SCHEMBL9458635 0.81 REN (1.00) RENCTSDCTSE
SCHEMBL7317104 0.79 MEN1 (0.61) RENCTSDCTSEMEN1ALDH1A1
SCHEMBL7385524 0.79 MEN1 (0.61) RENCTSDCTSEMEN1ALDH1A1
SCHEMBL8955175 0.76 CTSC (0.46) REN
SCHEMBL8955190 0.76 CTSC (0.46) REN
SCHEMBL9556735 0.76 REN (0.50) RENCTSDCTSE
SCHEMBL7331287 0.75 REN (0.63) RENCTSDCTSE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581899-A4 IMPROVED PROCESS FOR THE PREPARATION OF 1S-(1R*, 2S*, 3R*))-N-(4-(MORPHOLINYLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-4-THIAZOLYL)-N- (1-CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYLHEXYL)-L-ALANINAMIDE WARNER LAMBERT CO (US) 1996-10-02 — — EP disclosed
WO-1994011336-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF SUBSTITUTED 1,2,3-AMINODIOLS WARNER-LAMBERT COMPANY (US) 1994-05-26 — — WO disclosed
EP-0581899-A1 IMPROVED PROCESS FOR THE PREPARATION OF 1S-(1R*, 2S*, 3R*)]-N-(4-(MORPHOLINYLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-4-THIAZOLYL)-N- (1-CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYLHEXYL]-L-ALANINAMIDE WARNER-LAMBERT COMPANY (US) 1994-02-09 — — EP disclosed
US-5268483-A Process for the preparation of an L-alanine compound WARNER-LAMBERT COMPANY (US) 1993-12-07 — — US disclosed
US-5220031-A Process for the preparation of [1S-(1R*,2S*3R*)]-N-(4-morpholinylsulfonyl)-L-phenylalanyl-3-(2-amino-4-thiazolyl-N-[(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-alaninamide WARNER-LAMBERT COMPANY (US) 1993-06-15 — — US disclosed
WO-1992018486-A1 IMPROVED PROCESS FOR THE PREPARATION OF [1S-(1R*, 2S*, 3R*)]-N-(4-(MORPHOLINYLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-4-THIAZOLYL)-N-[(1-CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYLHEXYL]-L-ALANINAMIDE WARNER-LAMBERT COMPANY (US) 1992-10-29 — — WO disclosed
US-5089616-A Process for the preparation of [1S-(1R*,2S*,3R*)]-N-(4-morpholinylsulfonyl)-L-phenylalanyl-3-(2-amino-4-thiazolyl-N-[(1-cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-alaninamide WARNER-LAMBERT COMPANY (US) 1992-02-18 — — US disclosed
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