SCHEMBL7682798

SCHEMBL7682798

CC(C)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
PSMB10 P40306 7/20 0.46
BCL2 P10415 1/20 0.46
REN P00797 1/20 0.45
PSMB1 P20618 9/20 0.45
PSMB9 P28065 8/20 0.45
PSMB5 P28074 8/20 0.45
PSMB8 P28062 7/20 0.45
PSMB2 P49721 6/20 0.45
YAP1 P46937 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CACNA1B Q00975 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
SCHEMBL5832989 1.00 MME (0.49) MMEACECPA1ACE2MMP9
SCHEMBL5832987 1.00 MME (0.49) MMEACECPA1ACE2MMP9
SCHEMBL5833255 0.88 MME (0.48) MMEACECPA1ACE2MMP9
SCHEMBL5833253 0.88 MME (0.48) MMEACECPA1ACE2MMP9
SCHEMBL5833955 0.86 PSMB1 (0.51) MMEACECPA1ACE2MMP9
SCHEMBL5833960 0.86 PSMB1 (0.51) MMEACECPA1ACE2MMP9
SCHEMBL7364989 0.77 MME (0.56) MMEACECPA1ACE2MMP9
SCHEMBL7866955 0.77 CAPN1 (0.50) MMEACECPA1ACE2PSMB10
SCHEMBL8692584 0.77 ITGB3 (0.51) MMEACECPA1ACE2ITGB3
SCHEMBL8696145 0.77 ITGB3 (0.51) MMEACECPA1ACE2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469038-B1 CALCIUM CHANNEL BLOCKERS THAT CAN BLOCK N-TYPE CALCIUM CHANNELS AND CAN BE USED TO TREAT STROKE, PAIN, CEREBRAL ISCHEMIA, HEAD TRAUMA, ASTHMA, AMYOTROPIC LATERAL SCLEROSIS, AND EPILEPSY WARNER-LAMBERT COMPANY 2002-10-22 US disclosed