SCHEMBL7330654

SCHEMBL7330654

CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCCN(C)CC1)c1csc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.38
CHRM1 P11229 3/20 0.35
HSD17B10 Q99714 1/20 0.33
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
CTSS P25774 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
OPRL1 P41146 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR2 O15552 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 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
SCHEMBL7332856 0.97 REN (0.38) RENCHRM1HSD17B10LMNASMN1; SMN2
SCHEMBL7378656 0.91 REN (0.38) RENCHRM1HSD17B10LMNASMN1; SMN2
SCHEMBL7333146 0.88 KMT2A (0.40) RENLMNACTSSOPRL1FFAR2
SCHEMBL7336480 0.88 REN (0.38) RENLMNASMN1; SMN2MAPTHTT
SCHEMBL7339618 0.87 REN (0.45) RENCHRM1HSD17B10CTSSOPRL1
SCHEMBL7331624 0.86 FFAR2 (0.32) RENCTSSFFAR2
SCHEMBL7338555 0.85 REN (0.36) RENCHRM1HSD17B10LMNACTSS
SCHEMBL7330659 0.84 REN (0.46) RENCHRM1HSD17B10LMNASMN1; SMN2
SCHEMBL7338484 0.83 REN (0.38) RENCHRM1HSD17B10CTSSOPRL1
SCHEMBL7331302 0.83 REN (0.33) RENCTSSFFAR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456185-B1 Renin inhibitors ABBOTT LAB (US) 1995-05-31 EP disclosed
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