SCHEMBL8203893

SCHEMBL8203893

Cc1ccc(C)c(CNNC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4A O75164 1/20 0.39
NQO2 P16083 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 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
SCHEMBL8199848 0.89 NPC1 (0.44) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL5015072 0.87 NPC1 (0.54) NPC1RAB9AGAALMNATP53
SCHEMBL7328664 0.82 HPGD (0.45) NPC1RAB9AGAALMNATP53
SCHEMBL30262248 0.81 NPC1 (0.48) NPC1RAB9AGAALMNATP53
SCHEMBL6236607 0.79 GAA (0.51) NPC1RAB9AGAAHSP90AA1MAPK1
SCHEMBL12330710 0.79 TDP1 (0.48) GAATP53NPSR1SMN1; SMN2NQO2
SCHEMBL13903547 0.78 GAA (0.45) NPC1RAB9AGAAKDM4A
SCHEMBL7335575 0.77 POLB (0.46) GAALMNATP53PKMXBP1
SCHEMBL15171404 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KDM4AALDH1A1
SCHEMBL31705342 0.74 KDM4A (0.44) NPC1RAB9AGAAKDM4ANQO2

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
EP-0672678-B1 Azapeptide derivative FUJIREBIO KK (JP) 2000-10-25 EP disclosed
US-5965538-A FOR TREATING NERVOUS INFLAMMATION OF RESPIRATORY SYSTEMS, ASTHMA, BRONCHOSPASM FUJIREBIO INC. (JP) 1999-10-12 US disclosed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 US disclosed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 EP disclosed