SCHEMBL7355979

SCHEMBL7355979

C=C(C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)NCCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.48
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
METAP2 P50579 3/20 0.43
CPB2 Q96IY4 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
CTSD P07339 1/20 0.38
ANPEP P15144 3/20 0.38
RNPEP Q9H4A4 2/20 0.38
DNPEP Q9ULA0 2/20 0.38
METAP1 P53582 2/20 0.36

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
Hydrochloric Acid SCHEMBL9832917 0.99 REN (0.47) RENGAARAB9ASMN1; SMN2METAP2
Hydrochloric Acid SCHEMBL7385221 0.99 REN (0.47) RENGAARAB9ASMN1; SMN2METAP2
SCHEMBL7303087 0.88 REN (0.47) RENMETAP2CPB2MMP8CTSD
SCHEMBL14415381 0.88 REN (0.47) RENMETAP2CPB2MMP8CTSD
SCHEMBL9823763 0.88 REN (0.47) RENMETAP2CPB2MMP8CTSD
Hydrochloric Acid SCHEMBL9831215 0.87 REN (0.46) RENMETAP2CPB2MMP8CTSD
Hydrochloric Acid SCHEMBL9831459 0.81 REN (0.44) RENMETAP2METAP1
SCHEMBL7387397 0.78 REN (0.60) REN
SCHEMBL7428457 0.78 REN (0.52) RENGAARAB9ASMN1; SMN2METAP2
SCHEMBL10587950 0.78 REN (0.52) RENGAARAB9ASMN1; SMN2METAP2

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 10 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
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed