SCHEMBL7656552

SCHEMBL7656552

O=C(Nc1ccc(N2CCOCC2)nc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
CYP1A2 P05177 2/20 0.60
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
DGAT1 O75907 7/20 0.57
MAPT P10636 5/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
USP2 O75604 1/20 0.55
ESR1 P03372 1/20 0.55
NR4A1 P22736 1/20 0.55
PTK2B Q14289 1/20 0.55
STAT3 P40763 1/20 0.55
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL1594391 0.89 KMT2A (0.66) RAB9ACYP1A2NPC1SMN1; SMN2DGAT1
SCHEMBL1593432 0.88 KMT2A (0.64) RAB9ACYP1A2NPC1SMN1; SMN2DGAT1
SCHEMBL1593512 0.83 KMT2A (0.58) NPC1SMN1; SMN2DGAT1MAPTKMT2A
SCHEMBL21379546 0.82 MAPT (0.70) RAB9ACYP1A2NPC1SMN1; SMN2LMNA
SCHEMBL2169030 0.81 MAPT (0.78) RAB9ACYP1A2NPC1SMN1; SMN2LMNA
SCHEMBL896528 0.79 RAB9A (0.60) RAB9ACYP1A2NPC1SMN1; SMN2LMNA
SCHEMBL29739339 0.79 RAB9A (0.60) RAB9ACYP1A2NPC1SMN1; SMN2LMNA
SCHEMBL12392903 0.78 MAPT (0.65) RAB9ACYP1A2NPC1SMN1; SMN2LMNA
SCHEMBL50482 0.78 MAPT (0.69) RAB9ACYP1A2NPC1SMN1; SMN2LMNA
SCHEMBL8139126 0.78 ALDH1A1 (0.49) RAB9ACYP1A2NPC1SMN1; SMN2LMNA

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