SCHEMBL7585800

SCHEMBL7585800

NCCc1cn(C(=O)CF)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
HTR6 P50406 16/20 0.48
OXER1 Q8TDS5 1/20 0.47
SCN9A Q15858 1/20 0.43
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6425323 0.85 HTR2A (0.53) HTR2AHTR6OXER1SCN9A
SCHEMBL6426061 0.85 HTR2A (0.53) HTR2AHTR6OXER1SCN9ALMNA
SCHEMBL27721427 0.84 HTR2A (0.58) HTR2AHTR6OXER1SCN9A
SCHEMBL2824959 0.84 OXER1 (0.58) HTR2AHTR6OXER1SCN9A
SCHEMBL5304010 0.83 HTR2A (0.57) HTR2AHTR6OXER1SCN9A
SCHEMBL627039 0.83 HTR2A (0.57) HTR2AHTR6OXER1SCN9A
SCHEMBL27487257 0.82 HTR2A (0.53) HTR2AHTR6OXER1SCN9A
SCHEMBL29424269 0.82 HTR2A (0.59) HTR2AHTR6OXER1SCN9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8648129 0.82 HTR2A (0.55) HTR2AHTR6OXER1SCN9A
SCHEMBL7528710 0.82 HTR2A (0.59) HTR2AHTR6OXER1SCN9ASMN1; SMN2

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-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
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