SCHEMBL9039759

SCHEMBL9039759

CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.46
SLC7A5 Q01650 1/20 0.46
PTPN1 P18031 3/20 0.44
ENPEP Q07075 2/20 0.42
MMP1 P03956 1/20 0.41
FCER2 P06734 1/20 0.41
ECE1 P42892 1/20 0.41
CACNA2D1 P54289 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
LARS1 Q9P2J5 1/20 0.40

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
SCHEMBL28989497 1.00 MME (0.46) MMESLC7A5PTPN1ENPEPMMP1
SCHEMBL28989493 1.00 MME (0.46) MMESLC7A5PTPN1ENPEPMMP1
SCHEMBL11697957 0.90 PTPN1 (0.48) MMESLC7A5PTPN1MMP1FCER2
SCHEMBL7429977 0.88 MME (0.55) MMESLC7A5ENPEP
SCHEMBL7822916 0.88 MME (0.55) MMESLC7A5ENPEP
SCHEMBL31752207 0.88 MME (0.55) MMESLC7A5ENPEP
SCHEMBL7429984 0.88 MME (0.55) MMESLC7A5ENPEP
SCHEMBL30038644 0.88 ECE1 (0.53) MMESLC7A5MMP1FCER2ECE1
SCHEMBL10363299 0.86 SLC7A5 (0.47) SLC7A5PTPN1LARS1
SCHEMBL10363301 0.86 SLC7A5 (0.47) SLC7A5PTPN1LARS1

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
EP-4565281-A1 SITE-SPECIFIC MODIFICATION BY A BBB-SHUTTLE OF ANTIBODY-BASED ENTITIES FOR CROSSING THE BLOOD-BRAIN BARRIER Gate2Brain, S.L. (ES) 2025-06-11 EP claimed
EP-0491943-A4 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RORER INT HOLDINGS (US) 1996-02-14 EP disclosed
EP-0491943-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-01 EP disclosed
WO-1992000295-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-01-09 WO disclosed