SCHEMBL7330563

SCHEMBL7330563

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCCN(C)CC1)n1ccnc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.36
AVPR1B P47901 2/20 0.36
CHRM1 P11229 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
REN P00797 3/20 0.34
AGTR2 P50052 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ROCK2 O75116 1/20 0.33
CAPN1 P07384 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL7330557 0.97 AVPR1A (0.38) AVPR1AAVPR1BCHRM1HSD17B10TSHR
SCHEMBL7329409 0.88 REN (0.42) MEN1ALDH1A1KMT2AREN
SCHEMBL7338889 0.88 KMT2A (0.39) MEN1ALDH1A1KMT2ATSHRREN
SCHEMBL7335478 0.87 AVPR1A (0.38) AVPR1AAVPR1BCHRM1MEN1ALDH1A1
SCHEMBL7338971 0.85 TSHR (0.34) MEN1ALDH1A1KMT2ATSHRREN
SCHEMBL7337426 0.85 REN (0.38) AVPR1BCHRM1HSD17B10TSHRREN
SCHEMBL7329936 0.83 AVPR1A (0.40) AVPR1AAVPR1BCHRM1HSD17B10TSHR
SCHEMBL7332535 0.83 F2 (0.35) MEN1ALDH1A1KMT2ATSHRREN
SCHEMBL7335353 0.81 REN (0.38) CHRM1ALDH1A1HSD17B10TSHRREN
SCHEMBL7333037 0.80 REN (0.38) AVPR1AAVPR1BCHRM1ALDH1A1HSD17B10

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