SCHEMBL7430587

SCHEMBL7430587

CN(C)CC(=O)NCC[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.48
METAP2 P50579 7/20 0.45
CTSK P43235 2/20 0.39
METAP1 P53582 6/20 0.38
CPB2 Q96IY4 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL10587950 0.83 REN (0.52) RENMETAP2CTSKMETAP1CPB2
SCHEMBL7428457 0.83 REN (0.52) RENMETAP2CTSKMETAP1CPB2
SCHEMBL10611293 0.82 REN (0.53) RENMETAP2METAP1CPB2ALDH1A1
SCHEMBL9831134 0.82 REN (0.51) RENMETAP2METAP1CPB2ALDH1A1
SCHEMBL10608625 0.82 REN (0.51) RENMETAP2METAP1CPB2ALDH1A1
Hydrochloric Acid SCHEMBL9832396 0.81 REN (0.50) RENMETAP2METAP1CPB2ALDH1A1
SCHEMBL10608861 0.78 REN (0.50) RENMETAP2METAP1CPB2ALDH1A1
SCHEMBL10611167 0.77 REN (0.49) RENMETAP2METAP1CPB2ALDH1A1
SCHEMBL10608867 0.75 REN (0.58) RENMETAP2METAP1CPB2ALDH1A1
SCHEMBL3564204 0.73 REN (0.68) RENMETAP2ALDH1A1KMT2A

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
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed