SCHEMBL7649609

SCHEMBL7649609

CN(C)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.64
POLB P06746 5/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 6/20 0.52
S1PR3 Q99500 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
KDM1A O60341 1/20 0.46
USP2 O75604 1/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL1593927 0.85 KMT2A (0.60) KMT2APOLBALDH1A1MEN1S1PR3
SCHEMBL25202900 0.79 TRPV1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2838920 0.77 HDAC4 (0.54) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL15962680 0.76 TRPV1 (0.52) KMT2AALDH1A1MEN1L3MBTL1KDM1A
SCHEMBL14669483 0.75 ALDH1A1 (0.63) KMT2APOLBALDH1A1MEN1MAPT
SCHEMBL20057529 0.74 TRPV1 (0.51) KMT2AALDH1A1MEN1KDM1AMAPT
SCHEMBL20323596 0.73 TRPV1 (0.50) KMT2APOLBALDH1A1MEN1KDM1A
SCHEMBL1383257 0.73 POLB (1.00) KMT2APOLBMEN1S1PR3L3MBTL1
SCHEMBL7657327 0.72 POLB (0.65) KMT2APOLBALDH1A1MEN1S1PR3
SCHEMBL1594391 0.72 KMT2A (0.66) KMT2APOLBALDH1A1MEN1S1PR3

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