SCHEMBL7138604

SCHEMBL7138604

CC[C@H](C)[C@H](NC(=O)[C@@H](NS(=O)(=O)c1cccc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](C)C(O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
ADAM17 P78536 1/20 0.44
SLC6A9 P48067 2/20 0.41
KCNA5 P22460 2/20 0.41
METAP2 P50579 5/20 0.39
METAP1 P53582 5/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL7141899 0.82 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL7141895 0.82 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL7137510 0.81 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL7137507 0.81 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL3354732 0.79 SLC1A3 (0.67) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL3354730 0.79 SLC1A3 (0.67) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL7140264 0.78 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL8742354 0.77 CYP3A4 (0.49) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL8742351 0.77 CYP3A4 (0.49) SLC1A3SLC1A2SLC1A1ADAM17SLC6A9
SCHEMBL7142626 0.77 CASP1 (0.47) SLC1A3SLC1A2SLC1A1ADAM17KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611756-B1 Alcohol or aldehyde derivatives as cathepsin L inhibitor and bone resorption inhibitor TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-07 EP disclosed
US-5955491-A ADMINISTERING CATHEPSIN L INHIBITOR AND BONE RESORPTION INHIBITOR CONTAINING AN ALCOHOL OR ALDEHYDE DERIVATIVE, OR SALT THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US disclosed
US-5716980-A PROPHYLACTIC, THERAPY FOR OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
US-5639781-A PREVENT REABSORPTION OF BONE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-06-17 US disclosed
US-5498728-A OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-12 US disclosed
EP-0611756-A2 Alcohol or aldehyde derivatives as cathepsin L inhibitor and bone resorption inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-24 EP disclosed