SCHEMBL6401763

SCHEMBL6401763

CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.51
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.40
DPP7 Q9UHL4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACKR3 P25106 1/20 0.38
TSHR P16473 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CCR1 P32246 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MAOB P27338 1/20 0.36
CCR4 P51679 1/20 0.36

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
Hydrochloric Acid SCHEMBL4845060 0.99 CACNA1B (0.50) CACNA1BCYP2C19SMN1; SMN2ALDH1A1DPP7
SCHEMBL4846325 0.95 CACNA1B (0.50) CACNA1BCYP2C19SMN1; SMN2ALDH1A1DPP7
SCHEMBL7044033 0.91 CACNA1B (0.52) CACNA1BCYP2C19SMN1; SMN2ALDH1A1DPP7
SCHEMBL4840294 0.91 CACNA1B (0.51) CACNA1BCYP2C19SMN1; SMN2ALDH1A1DPP7
SCHEMBL7036760 0.91 CACNA1B (0.54) CACNA1BCYP2C19SMN1; SMN2ALDH1A1DPP7
Hydrochloric Acid SCHEMBL5116923 0.91 CACNA1B (0.51) CACNA1BCYP2C19SMN1; SMN2ALDH1A1DPP7
SCHEMBL3910290 0.91 CACNA1B (0.53) CACNA1BCYP2C19SMN1; SMN2ALDH1A1DPP7
SCHEMBL6395535 0.90 CACNA1B (0.51) CACNA1BCYP2C19SMN1; SMN2ALDH1A1DPP7
SCHEMBL4843263 0.90 CACNA1B (0.52) CACNA1BCYP2C19SMN1; SMN2ALDH1A1DPP7
SCHEMBL4845662 0.90 CACNA1B (0.51) CACNA1BCYP2C19SMN1; SMN2ALDH1A1DPP7

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
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US claimed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP claimed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US disclosed
US-20050038120-A1 S-[2-[(1-Iminoethyl)amino]ethyl]-2-methyl-L-cysteine maleate hydrochloride crystalline salt BROSTROM LYLE (US) 2005-02-17 US disclosed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP disclosed