SCHEMBL4422142

SCHEMBL4422142

CNC(=O)NCc1ccccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 6/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
MTNR1A P48039 1/20 0.44
HTT P42858 1/20 0.42
RCE1 Q9Y256 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK8 P45983 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL28984805 0.83 SETDB1 (0.49) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL4019795 0.82 HPGD (0.45) HPGDALDH1A1KDM4EMAPTTSHR
SCHEMBL11865177 0.79 HPGD (0.42) HPGDALDH1A1KDM4EMAPTTSHR
SCHEMBL1671880 0.79 KDM4E (0.48) HPGDALDH1A1KDM4EHTTRCE1
Hydrochloric Acid SCHEMBL20487425 0.78 HPGD (0.42) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL6156971 0.78 MAPK8 (0.43) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL14941044 0.78 ALDH1A1 (0.43) HPGDALDH1A1KDM4EHTTRCE1
SCHEMBL17787939 0.77 ALDH1A1 (0.62) NPC1RAB9AHPGDALDH1A1KDM4E
Dimethylamine SCHEMBL27639205 0.77 MAPT (0.47) HPGDALDH1A1KDM4EHTTMAPT
SCHEMBL12851364 0.76 NPC1 (0.79) NPC1RAB9AALDH1A1HTTOPRM1

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
EP-2024359-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DECEASE AND/OR SCHIZOPHRENIA AstraZeneca AB (SE) 2009-02-18 EP claimed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO claimed