SCHEMBL7337124

SCHEMBL7337124

CCCCNC(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.52
KLKB1 P03952 1/20 0.52
IL1RN P18510 1/20 0.52
ERAP2 Q6P179 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
PTPN1 P18031 1/20 0.49
CTSK P43235 3/20 0.49
CTSS P25774 2/20 0.49
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
POLB P06746 2/20 0.48
CTSL P07711 2/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL7337118 1.00 REN (0.52) RENKLKB1IL1RNERAP2ERAP1
SCHEMBL7337322 0.92 REN (0.51) RENIL1RNERAP2ERAP1PTPN1
SCHEMBL7337332 0.92 REN (0.51) RENIL1RNERAP2ERAP1PTPN1
SCHEMBL7347568 0.91 IL1RN (0.55) RENKLKB1IL1RNERAP2ERAP1
SCHEMBL7347573 0.91 IL1RN (0.55) RENKLKB1IL1RNERAP2ERAP1
SCHEMBL7337798 0.90 IL1RN (0.55) RENKLKB1IL1RNERAP2ERAP1
SCHEMBL7337793 0.90 IL1RN (0.55) RENKLKB1IL1RNERAP2ERAP1
SCHEMBL7345531 0.88 PSMB5 (0.55) RENIL1RNERAP2ERAP1
SCHEMBL7345529 0.88 PSMB5 (0.55) RENIL1RNERAP2ERAP1
SCHEMBL7343224 0.88 IL1RN (0.55) RENIL1RNERAP2ERAP1PTPN1

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed