SCHEMBL9615137

SCHEMBL9615137

CCn1c2c(c3ccccc31)CCNC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
KDM4E B2RXH2 2/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTR6 P50406 6/20 0.52
RAB9A P51151 1/20 0.49
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR5A P47898 1/20 0.43

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 SCHEMBL9696491 0.98 KDM4E (0.56) HTR2AHTR2CHDAC1HDAC6KDM4E
SCHEMBL2357949 0.88 HDAC1 (0.55) HTR2AHTR2CHDAC1HDAC6KDM4E
SCHEMBL30873508 0.88 HDAC1 (0.55) HTR2AHTR2CHDAC1HDAC6KDM4E
SCHEMBL9615110 0.85 NPC1 (0.54) HTR2AHTR2CHDAC1HDAC6KDM4E
SCHEMBL6422112 0.84 HTR2C (0.55) HTR2AHTR2CHDAC1HDAC6KDM4E
Hydrochloric Acid SCHEMBL9615105 0.84 KDM4E (0.53) HTR2AHTR2CHDAC1HDAC6KDM4E
SCHEMBL6422248 0.82 HDAC1 (0.69) HTR2AHTR2CHDAC1HDAC6KDM4E
SCHEMBL4300297 0.82 HDAC1 (0.53) HTR2AHTR2CHDAC1HDAC6KDM4E
SCHEMBL12369406 0.82 HDAC1 (0.53) HTR2AHTR2CHDAC1HDAC6KDM4E
SCHEMBL6422780 0.81 HDAC1 (0.52) HTR2AHTR2CHDAC1HDAC6KDM4E

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
CN-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 CN disclosed
US-5169852-A Anorexigenic agents NEUREX CORPORATION (US) 1992-12-08 US disclosed
EP-0520987-A4 METHOD OF SUPPRESSING APPETITE BY ADMINISTRATION OF TETRAHYDRO--g(b)-CARBOLINE DERIVATIVES. NEUREX CORP (US) 1992-05-13 EP disclosed