SCHEMBL7649404

SCHEMBL7649404

CCN(CC)c1ccc(NC(=O)C(c2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 3/20 0.70
S1PR3 Q99500 3/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
LMNA P02545 3/20 0.70
MAPT P10636 1/20 0.70
HTT P42858 1/20 0.60
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.52
NOX1 Q9Y5S8 1/20 0.52
CYP3A4 P08684 3/20 0.52
TSHR P16473 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52

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
SCHEMBL7654710 0.83 SLC6A3 (0.57) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL5114854 0.81 HTR1E (0.69) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL7649901 0.79 ALDH1A1 (0.60) MEN1KMT2ALMNAHTTRAB9A
SCHEMBL7650913 0.77 ALDH1A1 (0.58) MEN1KMT2ALMNAHTTRAB9A
SCHEMBL5049482 0.77 CYP1A2 (0.63) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL13923636 0.76 HTR1E (0.74) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL5049558 0.75 HTR1E (0.64) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL2844637 0.73 HTR1E (0.69) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL4866353 0.73 CYP3A4 (0.63) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL4278391 0.73 CYP3A4 (0.60) HTR1ES1PR3MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407120-B1 ADMINISTERING PYRIDINYLACETAMIDE OR PHENYLACETAMIDE DERIVATIVE TO TREAT CARDIOVASCULAR, EATING, SEXUAL, BRAIN, NERVOUS SYSTEM, GASTROINTESTINAL, UROGENITAL, PSYCHOLOGICAL, AND RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2002-06-18 US disclosed