SCHEMBL6425323

SCHEMBL6425323

NCCc1cn(C(=O)CCl)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
HTR6 P50406 17/20 0.48
OXER1 Q8TDS5 1/20 0.47
SCN9A Q15858 1/20 0.43
HTR2C P28335 2/20 0.40
HTR7 P34969 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
HTR2B P41595 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
S1PR1 P21453 1/20 0.40
C5AR1 P21730 1/20 0.40
SLC6A2 P23975 1/20 0.40
FPR3 P25089 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
GPR183 P32249 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL7585800 0.85 HTR2A (0.53) HTR2AHTR6OXER1SCN9A
SCHEMBL6426061 0.85 HTR2A (0.53) HTR2AHTR6OXER1SCN9A
SCHEMBL27721427 0.84 HTR2A (0.58) HTR2AHTR6OXER1SCN9AHTR7
SCHEMBL2824959 0.84 OXER1 (0.58) HTR2AHTR6OXER1SCN9A
SCHEMBL5304010 0.83 HTR2A (0.57) HTR2AHTR6OXER1SCN9AHTR2C
SCHEMBL627039 0.83 HTR2A (0.57) HTR2AHTR6OXER1SCN9AHTR2C
SCHEMBL27487257 0.82 HTR2A (0.53) HTR2AHTR6OXER1SCN9AHTR7
SCHEMBL29424269 0.82 HTR2A (0.59) HTR2AHTR6OXER1SCN9A
Hydrochloric Acid SCHEMBL8648129 0.82 HTR2A (0.55) HTR2AHTR6OXER1SCN9A
SCHEMBL7528710 0.82 HTR2A (0.59) HTR2AHTR6OXER1SCN9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212056-B1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES US GOV HEALTH & HUMAN SERV (US) 2005-12-07 EP disclosed
EP-1212056-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES The Government of the United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2002-06-12 EP disclosed
US-20020002144-A1 Methods and compositions for bisubstrate inhibitors of acetyltransferases THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2002-01-03 US disclosed
WO-2001012185-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-02-22 WO disclosed