SCHEMBL7338484

SCHEMBL7338484

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCCN(C)CC1)c1cncs1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.38
CHRM1 P11229 5/20 0.35
HSD17B10 Q99714 1/20 0.34
CTSS P25774 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
AVPR1B P47901 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP3A4 P08684 2/20 0.31
F10 P00742 1/20 0.31
AVPR1A P37288 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
SCHEMBL7339498 0.97 REN (0.38) RENCHRM1HSD17B10CTSSOPRL1
SCHEMBL7331323 0.88 KMT2A (0.41) RENCTSSOPRL1F10
SCHEMBL7330457 0.88 REN (0.39) RENCTSSOPRL1CYP3A4
SCHEMBL7328094 0.86 CTSS (0.32) RENCTSS
SCHEMBL7331684 0.85 AVPR1A (0.37) RENCHRM1HSD17B10AVPR1BAVPR1A
SCHEMBL7330659 0.85 REN (0.46) RENCHRM1HSD17B10CTSSAPOBEC3A
SCHEMBL7339618 0.84 REN (0.45) RENCHRM1HSD17B10CTSSAPOBEC3A
SCHEMBL7330654 0.83 REN (0.38) RENCHRM1HSD17B10CTSSAPOBEC3A
SCHEMBL7332394 0.83 RORC (0.32) RENCTSS
SCHEMBL7338555 0.82 REN (0.36) RENCHRM1HSD17B10CTSSAPOBEC3A

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-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