SCHEMBL7428457

SCHEMBL7428457

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.52
METAP2 P50579 5/20 0.46
CPB2 Q96IY4 1/20 0.39
METAP1 P53582 4/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
CTSD P07339 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
CTSK P43235 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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 1.00 REN (0.52) RENMETAP2CPB2METAP1MMP2
SCHEMBL9831134 0.88 REN (0.51) RENMETAP2CPB2METAP1MMP2
SCHEMBL10608625 0.88 REN (0.51) RENMETAP2CPB2METAP1MMP2
Hydrochloric Acid SCHEMBL9832396 0.87 REN (0.50) RENMETAP2CPB2METAP1MMP2
SCHEMBL10611293 0.83 REN (0.53) RENMETAP2CPB2METAP1
SCHEMBL7430587 0.83 REN (0.48) RENMETAP2CPB2METAP1CTSK
SCHEMBL7270757 0.81 REN (0.51) RENMETAP2CPB2METAP1MMP8
SCHEMBL7270755 0.81 REN (0.51) RENMETAP2CPB2METAP1MMP8
SCHEMBL10608861 0.79 REN (0.50) RENMETAP2CPB2METAP1
SCHEMBL3564204 0.79 REN (0.68) RENMETAP2

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