SCHEMBL7415889

SCHEMBL7415889

C[C@H](N)C(=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1)c1cscn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.46
CTSS P25774 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CHRM1 P11229 4/20 0.34
POLB P06746 1/20 0.32
OPRL1 P41146 1/20 0.32
OPRD1 P41143 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL7331301 0.85 REN (0.45) RENCTSSHSD17B10CHRM1OPRL1
SCHEMBL7376719 0.85 REN (0.46) RENCTSSHSD17B10CHRM1OPRL1
SCHEMBL9556726 0.84 REN (0.46) RENHSD17B10OPRD1
SCHEMBL9556736 0.84 REN (0.45) RENHSD17B10CHRM1POLB
SCHEMBL7339618 0.83 REN (0.45) RENCTSSHSD17B10CHRM1OPRL1
SCHEMBL9556569 0.77 FFAR2 (0.32)
SCHEMBL9556562 0.77 REN (0.45) RENCTSS
SCHEMBL7329328 0.76 REN (0.46) RENCTSSLMNA
SCHEMBL7332502 0.76 KMT2A (0.41) RENCTSSOPRL1
SCHEMBL9556441 0.76 LTA4H (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US claimed
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 WO disclosed