SCHEMBL7372153

SCHEMBL7372153

CC(C)C[C@H](NCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.57
IL1RN P18510 1/20 0.55
ERAP2 Q6P179 1/20 0.55
ERAP1 Q9NZ08 1/20 0.55
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MME P08473 1/20 0.51
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
PSMB5 P28074 3/20 0.50
CTSK P43235 2/20 0.50
YAP1 P46937 2/20 0.50
CTSL P07711 1/20 0.50
PSMB1 P20618 3/20 0.49
PSMB9 P28065 2/20 0.49
PSMB10 P40306 2/20 0.49

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
SCHEMBL7372154 1.00 REN (0.57) RENIL1RNERAP2ERAP1POLB
SCHEMBL7369252 0.96 REN (0.53) RENIL1RNERAP2ERAP1POLB
SCHEMBL7405538 0.96 REN (0.53) RENIL1RNERAP2ERAP1POLB
SCHEMBL7368490 0.92 IL1RN (0.56) RENIL1RNERAP2ERAP1POLB
SCHEMBL7368496 0.92 IL1RN (0.56) RENIL1RNERAP2ERAP1POLB
SCHEMBL7346379 0.90 IL1RN (0.59) RENIL1RNERAP2ERAP1POLB
SCHEMBL7346373 0.90 IL1RN (0.59) RENIL1RNERAP2ERAP1POLB
SCHEMBL7337798 0.90 IL1RN (0.55) RENIL1RNERAP2ERAP1ATM
SCHEMBL7337793 0.90 IL1RN (0.55) RENIL1RNERAP2ERAP1ATM
SCHEMBL7348670 0.90 IL1RN (0.58) RENIL1RNERAP2ERAP1POLB

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