SCHEMBL7367928

SCHEMBL7367928

CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)C1CCC(C(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
CACNA1B Q00975 6/20 0.46
REN P00797 1/20 0.45
YAP1 P46937 3/20 0.44
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
IL1RN P18510 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
PSMB5 P28074 2/20 0.41
MAOB P27338 1/20 0.40
PTPN1 P18031 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMB10 P40306 1/20 0.40
PSMB2 P49721 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
SCHEMBL7369240 0.93 MME (0.47) MMEACECPA1ACE2CACNA1B
SCHEMBL24206296 0.92 CACNA1B (0.51) MMEACECPA1ACE2CACNA1B
SCHEMBL17598384 0.92 CACNA1B (0.51) MMEACECPA1ACE2CACNA1B
SCHEMBL7399618 0.91 CACNA1B (0.52) MMEACECPA1ACE2CACNA1B
SCHEMBL7409019 0.86 MME (0.54) MMEACECPA1ACE2CACNA1B
SCHEMBL7369445 0.84 MME (0.52) MMEACECPA1ACE2CACNA1B
SCHEMBL7375477 0.83 MME (0.52) MMEACECPA1ACE2CACNA1B
SCHEMBL7405764 0.83 MME (0.52) MMEACECPA1ACE2CACNA1B
SCHEMBL7405818 0.82 CACNA1B (0.49) MMEACECPA1ACE2CACNA1B
SCHEMBL8188648 0.82 MME (0.55) MMEACECPA1ACE2CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed