SCHEMBL7335478

SCHEMBL7335478

C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCCN(C)CC1)n1cccn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.38
AVPR1B P47901 2/20 0.36
CHRM1 P11229 1/20 0.36
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
REN P00797 6/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
F2 P00734 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CAPN1 P07384 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
SCHEMBL7329936 0.97 AVPR1A (0.40) AVPR1AAVPR1BCHRM1HSD17B10TSHR
SCHEMBL7332734 0.88 REN (0.42) RENMEN1ALDH1A1KMT2A
SCHEMBL7338004 0.88 KMT2A (0.39) AVPR1ATSHRRENF2KMT2A
SCHEMBL7330563 0.87 AVPR1A (0.36) AVPR1AAVPR1BCHRM1HSD17B10TSHR
SCHEMBL7338775 0.85 CAPN1 (0.34) AVPR1ATSHRRENF2MEN1
SCHEMBL7330525 0.85 REN (0.38) AVPR1AAVPR1BCHRM1HSD17B10TSHR
SCHEMBL7330557 0.83 AVPR1A (0.38) AVPR1AAVPR1BCHRM1HSD17B10TSHR
SCHEMBL7335615 0.83 F2 (0.34) AVPR1ATSHRRENF2MEN1
SCHEMBL7337567 0.81 REN (0.38) AVPR1ACHRM1HSD17B10TSHRREN
SCHEMBL9437478 0.81 KMT2A (0.41) AVPR1ARENMEN1ALDH1A1KMT2A

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