SCHEMBL7759003

SCHEMBL7759003

NCCCC[C@H](NC(=O)C1OC1C(=O)NC1Cc2ccccc2C1)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTMT1 Q9BV86 2/20 0.53
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
MC1R Q01726 1/20 0.39
PLG P00747 1/20 0.39
EPHX1 P07099 1/20 0.38
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TPSAB1 Q15661 2/20 0.37
RORC P51449 1/20 0.37
F10 P00742 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MEN1 O00255 1/20 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
SCHEMBL8348973 1.00 NTMT1 (0.53) NTMT1KDM4EHSD17B10SIGMAR1MC4R
Hydrochloric Acid SCHEMBL8344648 0.99 NTMT1 (0.53) NTMT1KDM4EHSD17B10SIGMAR1MC4R
Hydrochloric Acid SCHEMBL7761849 0.99 NTMT1 (0.53) NTMT1KDM4EHSD17B10SIGMAR1MC4R
SCHEMBL8343138 0.88 NTMT1 (0.58) NTMT1KDM4EHSD17B10MC4RMC5R
SCHEMBL7759044 0.88 NTMT1 (0.58) NTMT1KDM4EHSD17B10MC4RMC5R
Hydrochloric Acid SCHEMBL8349180 0.87 NTMT1 (0.57) NTMT1KDM4EHSD17B10MC4RMC5R
Hydrochloric Acid SCHEMBL7763503 0.87 NTMT1 (0.57) NTMT1KDM4EHSD17B10MC4RMC5R
Hydrochloric Acid SCHEMBL7758996 0.85 F2 (0.40) PLGF2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8348979 0.85 F2 (0.40) PLGF2PRSS1PRSS2PRSS3
SCHEMBL8346795 0.85 KDM4E (0.45) NTMT1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808839-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2001-05-23 EP disclosed
US-5883121-A INHIBITING ACTIVITY AGAINST CATHEPSIN, AND IS USEFUL FOR PREVENTION AND TREATMENT OF OSTEOPATHY SUCH AS OSTEOPOROSIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
EP-0808839-A1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-11-26 EP disclosed