SCHEMBL8207767

SCHEMBL8207767

CC(C)C[C@H](NC1CCOCC1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.48
YAP1 P46937 2/20 0.48
CACNA1B Q00975 3/20 0.46
IL1RN P18510 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
PTPN1 P18031 1/20 0.43
PSMB11 A5LHX3 2/20 0.43
PSMA7 O14818 2/20 0.43
PSMB1 P20618 2/20 0.43
PSMA1 P25786 2/20 0.43
PSMA2 P25787 2/20 0.43
PSMA3 P25788 2/20 0.43
PSMA4 P25789 2/20 0.43
PSMB8 P28062 2/20 0.43
PSMB9 P28065 2/20 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
SCHEMBL7367334 0.93 CACNA1B (0.54) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL8180144 0.91 YAP1 (0.45) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7371474 0.87 YAP1 (0.53) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7371480 0.87 YAP1 (0.53) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7367934 0.83 TACR2 (0.51) YAP1PTPN1CTSSCTSLCTSK
SCHEMBL8194350 0.83 IL1RN (0.48) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7371242 0.83 CACNA1B (0.61) RENYAP1CACNA1BPSMB11PSMA7
SCHEMBL8187618 0.83 CACNA1B (0.67) RENYAP1CACNA1BIL1RNERAP2
SCHEMBL7370096 0.83 TACR2 (0.60) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL8187251 0.82 CACNA1B (0.51) YAP1CACNA1BIL1RNERAP2ERAP1

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-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed