SCHEMBL8484244

SCHEMBL8484244

CN(C)CCNC(=O)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.54
MOK Q9UQ07 1/20 0.53
CDC7 O00311 1/20 0.53
CDK19 Q9BWU1 1/20 0.53
HPGD P15428 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TET3 O43151 1/20 0.52
TET2 Q6N021 1/20 0.52
TET1 Q8NFU7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CAMK2D Q13557 1/20 0.52
FYN P06241 4/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51

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 SCHEMBL8483231 0.99 MCHR1 (0.53) MCHR1MOKCDC7CDK19HPGD
SCHEMBL8770308 0.95 LMNA (0.52) MCHR1MOKCDC7CDK19HPGD
Hydrochloric Acid SCHEMBL8770318 0.94 UTS2R (0.53) MCHR1MOKCDC7CDK19HPGD
SCHEMBL8481447 0.93 KDM4E (0.61) MCHR1HPGDKDM4ETET3TET2
Hydrochloric Acid SCHEMBL8481070 0.92 KDM4E (0.60) MCHR1HPGDKDM4ETET3TET2
SCHEMBL8481554 0.89 CAMK2D (0.61) MOKCAMK2DFYNRAD52
SCHEMBL8150809 0.88 NPC1 (0.63) MCHR1HPGDKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL8480455 0.88 CAMK2D (0.60) MOKCAMK2DFYNRAD52
SCHEMBL8486450 0.82 FYN (0.66) HPGDKDM4ETET3TET2TET1
Hydrochloric Acid SCHEMBL8582820 0.81 FYN (0.65) HPGDKDM4ETET3TET2TET1

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-5922743-A USEFUL FOR AMELIORATION OF NERVE DISORDERS DUE TO NEURONAL DEGENERATION, SUCH AS INDUCED BY DRUGS OR ALCOHOL, INFLAMMATORY DISORDERS, DIABETES, ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, HUNTINGTON'S CHOREA, AND OTHERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
EP-0795545-A1 PYRIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1997-09-17 EP disclosed