SCHEMBL7330525

SCHEMBL7330525

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCCN(C)CC1)n1cccn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.38
CHRM1 P11229 5/20 0.37
CTSS P25774 1/20 0.36
HSD17B10 Q99714 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HDAC8 Q9BY41 1/20 0.32
AVPR1B P47901 1/20 0.31
AVPR1A P37288 1/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MCL1 Q07820 1/20 0.31
IDO1 P14902 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7337567 0.97 REN (0.38) RENCHRM1CTSSHSD17B10HDAC8
SCHEMBL7338773 0.87 LMNA (0.38) RENCTSSTSHR
SCHEMBL7337794 0.87 KMT2A (0.43) RENCHRM1CTSSHDAC8TSHR
SCHEMBL7337426 0.87 REN (0.38) RENCHRM1CTSSHSD17B10APOBEC3A
SCHEMBL7335478 0.85 AVPR1A (0.38) RENCHRM1HSD17B10APOBEC3AAPOBEC3G
SCHEMBL7338677 0.85 CTSS (0.34) RENCTSS
SCHEMBL7335353 0.83 REN (0.38) RENCHRM1CTSSHSD17B10TSHR
SCHEMBL7331654 0.83 RORC (0.34) CTSS
SCHEMBL7329936 0.81 AVPR1A (0.40) RENCHRM1HSD17B10AVPR1BAVPR1A
SCHEMBL7330659 0.80 REN (0.46) RENCHRM1CTSSHSD17B10APOBEC3A

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