SCHEMBL7440693

SCHEMBL7440693

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.38
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSH P09668 1/20 0.35
METAP1 P53582 2/20 0.35
CTSK P43235 4/20 0.35
METAP2 P50579 2/20 0.35
ALOX5 P09917 1/20 0.34
DPP4 P27487 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
SCHEMBL7440684 1.00 REN (0.38) RENCTSLCTSBCTSHMETAP1
SCHEMBL7361728 0.84 SLC1A3 (0.37) METAP1METAP2ALOX5
SCHEMBL10354798 0.84 SLC1A3 (0.37) METAP1METAP2ALOX5
SCHEMBL10768614 0.84 SLC1A3 (0.37) METAP1METAP2ALOX5
SCHEMBL30415115 0.78 METAP1 (0.40) RENCTSLCTSBCTSHMETAP1
SCHEMBL17789278 0.78 METAP1 (0.40) RENCTSLCTSBCTSHMETAP1
SCHEMBL7589499 0.78 REN (0.36) RENCTSLCTSBCTSHMETAP1
SCHEMBL7051735 0.78 REN (0.36) RENCTSLCTSBCTSHMETAP1
SCHEMBL7051728 0.77 REN (0.35) RENCTSLCTSBCTSHMETAP1
SCHEMBL9832260 0.77 CTSK (0.36) RENCTSLCTSBCTSHMETAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP claimed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed