SCHEMBL7327231

SCHEMBL7327231

COC(=O)C(OC(=O)C(F)(F)F)C(N)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.39
METAP2 P50579 6/20 0.38
METAP1 P53582 2/20 0.38
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
CTSK P43235 4/20 0.36
CTSS P25774 1/20 0.36
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 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
SCHEMBL7351879 0.81 LTA4H (0.47) RENMETAP2METAP1CTSLCTSB
SCHEMBL6486232 0.78 METAP2 (0.39) RENMETAP2METAP1CTSLCTSK
SCHEMBL7359588 0.78 METAP2 (0.39) RENMETAP2METAP1CTSKCTSS
SCHEMBL6561648 0.78 CPB2 (0.38) RENMETAP2METAP1CTSKCTSS
SCHEMBL27822264 0.78 METAP2 (0.38) RENMETAP2METAP1CTSKCTSS
SCHEMBL10767496 0.77 REN (0.42) RENMETAP2METAP1CTSLCTSB
Trifluoroacetic Acid SCHEMBL7327225 0.77 METAP2 (0.50) RENMETAP2METAP1CTSKCTSS
SCHEMBL9819691 0.75 METAP2 (0.38) RENMETAP2METAP1CTSLCTSB
SCHEMBL9819688 0.75 METAP2 (0.38) RENMETAP2METAP1CTSLCTSB
SCHEMBL8175196 0.74 METAP2 (0.55) RENMETAP2METAP1

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-5095119-A Renin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-10 US disclosed
US-5075451-A Pyrrolimidazolones useful as renin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-24 US disclosed
US-5064965-A Renin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-11-12 US disclosed
US-5023338-A Renin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-11 US disclosed