SCHEMBL4455153

SCHEMBL4455153

c1ccc(N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
LMNA P02545 1/20 1.00
RAB9A P51151 3/20 0.62
KMT2A Q03164 1/20 0.62
NPC1 O15118 3/20 0.59
GAA P10253 4/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
APP P05067 1/20 0.54
ALDH1A1 P00352 4/20 0.53
TSHR P16473 3/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
SLC6A7 Q99884 2/20 0.50
KDM4E B2RXH2 1/20 0.50

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
Hydrochloric Acid SCHEMBL27824015 0.98 MAPT (0.96) MAPTLMNARAB9AKMT2ANPC1
Hydrochloric Acid SCHEMBL7716603 0.98 MAPT (0.96) MAPTLMNARAB9AKMT2ANPC1
SCHEMBL10498542 0.83 LMNA (0.70) MAPTLMNARAB9AKMT2ANPC1
SCHEMBL6663539 0.83
SCHEMBL26597976 0.82 MAPT (0.69) MAPTLMNARAB9AKMT2ANPC1
SCHEMBL22495492 0.82 MAPT (0.69) MAPTLMNARAB9AKMT2ANPC1
SCHEMBL17838638 0.82 MAPT (0.69) MAPTLMNARAB9AKMT2ANPC1
SCHEMBL12082184 0.82 MAPT (0.69) MAPTLMNARAB9AKMT2ANPC1
SCHEMBL385012 0.81
SCHEMBL576814 0.81 LMNA (0.67) MAPTLMNARAB9AKMT2AGAA

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-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-6673795-B2 SUCH AS 6-(4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL)-2-METHYL-5-NITRO-3-(2,2,2-TRIFLUORO -ETHYL)-3H-PYRIMIDIN-4-ONE, WHICH ARE METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS USEFUL IN TREATING PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. 2004-01-06 US disclosed