SCHEMBL7337567

SCHEMBL7337567

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1)n1cccn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.38
CTSS P25774 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 5/20 0.35
AVPR1A P37288 2/20 0.33
TSHR P16473 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MCL1 Q07820 1/20 0.32
IDO1 P14902 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
GAA P10253 2/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7330525 0.97 REN (0.38) RENCTSSHSD17B10CHRM1AVPR1A
SCHEMBL7338773 0.90 LMNA (0.38) RENCTSSTSHRGAACYP2C19
SCHEMBL7337794 0.90 KMT2A (0.43) RENCTSSCHRM1TSHRKDM4E
SCHEMBL7338677 0.88 CTSS (0.34) RENCTSS
SCHEMBL7335353 0.86 REN (0.38) RENCTSSHSD17B10CHRM1TSHR
SCHEMBL7331654 0.85 RORC (0.34) CTSS
SCHEMBL7329936 0.84 AVPR1A (0.40) RENHSD17B10CHRM1AVPR1ATSHR
SCHEMBL7337426 0.83 REN (0.38) RENCTSSHSD17B10CHRM1TSHR
SCHEMBL7335478 0.81 AVPR1A (0.38) RENHSD17B10CHRM1AVPR1ATSHR
SCHEMBL7330956 0.79 REN (0.46) RENCTSSHSD17B10CHRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 US disclosed
US-5310740-A Congestive heart failure, hypotensive agents, antiglaucoma agents; side effect reduction ABBOTT LABORATORIES (US) 1994-05-10 US disclosed
US-5284849-A Treating hypertension and congestive heart failure ABBOTT LABORATORIES (US) 1994-02-08 US disclosed
EP-0456185-A2 Renin inhibitors ABBOTT LABORATORIES (US) 1991-11-13 EP disclosed