SCHEMBL7876696

SCHEMBL7876696

CCOc1c(C(N)C(=O)OC(C)(C)C)ccc(C)c1N

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAOA P21397 1/20 0.32
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
ESR1 P03372 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL7883261 0.81 MAPT (0.34) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL27612427 0.73 NR1H2 (0.37) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL7876697 0.73 HDAC1 (0.39)
SCHEMBL7878665 0.72 LMNA (0.34) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL27789721 0.69 GRM1 (0.66) MAPTKMT2AMEN1CYP1A2HSD17B10
Carbamic Acid SCHEMBL28814185 0.68 TSHR (0.40) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL7203924 0.68 AAK1 (0.39) KMT2ALMNALTA4HALDH1A1HSD17B10
SCHEMBL6756986 0.68 BRD4 (0.44) MAPTHSD17B10
SCHEMBL27571927 0.67 L3MBTL1 (0.40) KMT2AMEN1ALDH1A1HSD17B10TSHR
SCHEMBL1495845 0.67 GRM1 (0.48) MAPTKMT2ANPSR1MEN1LMNA

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
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed