SCHEMBL7652589

SCHEMBL7652589

CCN(CC)c1ccc(NC(=O)Cc2cccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
GFER P55789 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
POLB P06746 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
RORC P51449 1/20 0.53
PDE3B Q13370 1/20 0.53
TRPV1 Q8NER1 1/20 0.51
PSMB8 P28062 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
HTR1A P08908 1/20 0.50

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
SCHEMBL7651061 0.83 RAB9A (0.60) MAPTGFERNPSR1POLBALDH1A1
SCHEMBL9845804 0.83 ALDH1A1 (0.75) MAPTPOLBALDH1A1TDP1L3MBTL1
SCHEMBL362394 0.80 ALDH1A1 (0.66) NPSR1ALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL1355592 0.78 CYP1A2 (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9PDE3B
SCHEMBL9845802 0.77 MEN1 (0.67) MAPTPOLBALDH1A1TDP1L3MBTL1
SCHEMBL23963234 0.77 HTR1A (0.59) ALDH1A1CYP1A2CYP3A4CYP2C9RORC
SCHEMBL13766306 0.77 SMN1; SMN2 (0.58) MAPTPOLBL3MBTL1CYP1A2CYP3A4
SCHEMBL11629241 0.75 NAMPT (0.74) MAPTNPSR1POLBALDH1A1TRPV1
SCHEMBL12409531 0.74 CYP1A2 (0.66) MAPTPOLBALDH1A1CYP1A2CYP3A4
SCHEMBL2389201 0.74 ROCK2 (0.62) POLBALDH1A1CYP1A2CYP3A4CYP2C9

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