SCHEMBL7338555

SCHEMBL7338555

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCCN(C)CC1)c1cc[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.36
CHRM1 P11229 4/20 0.36
HSD17B10 Q99714 1/20 0.35
CTSS P25774 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
AVPR1B P47901 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PARP1 P09874 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
AVPR1A P37288 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 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
SCHEMBL7339105 0.97 HSD17B10 (0.37) RENCHRM1HSD17B10CTSSGAA
SCHEMBL7337649 0.88 KMT2A (0.43) RENCHRM1HSD17B10CTSSGAA
SCHEMBL7339877 0.87 LMNA (0.38) RENCTSSGAACYP2C19KMT2A
SCHEMBL7339618 0.85 REN (0.45) RENCHRM1HSD17B10CTSSAPOBEC3A
SCHEMBL7338647 0.85 CTSS (0.33) CTSSKMT2A
SCHEMBL7330654 0.85 REN (0.38) RENCHRM1HSD17B10CTSSAPOBEC3A
SCHEMBL7328871 0.85 AVPR1A (0.38) RENCHRM1HSD17B10APOBEC3AAPOBEC3G
SCHEMBL7334862 0.83 RORC (0.33) CTSSKMT2A
SCHEMBL7330659 0.83 REN (0.46) RENCHRM1HSD17B10CTSSAPOBEC3A
SCHEMBL7338484 0.82 REN (0.38) 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 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