SCHEMBL5774256

SCHEMBL5774256

CC=C(c1ccc(F)c(F)c1)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
DPP4 P27487 1/20 0.40
KCNH2 Q12809 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 7/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 4/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
HPGD P15428 4/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL7189572 1.00 KMT2A (0.47) KMT2AMEN1CES2CES1DPP4
SCHEMBL11476496 0.81 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL5776352 0.77 SMN1; SMN2 (0.38) KMT2AMEN1CES2CES1ALDH1A1
SCHEMBL2655426 0.75 KMT2A (0.73) KMT2AMEN1CES2CES1HSD11B1
SCHEMBL5769961 0.75 MEN1 (0.46) KMT2AMEN1CES2CES1DPP4
SCHEMBL29944147 0.74 MEN1 (0.71) KMT2AMEN1HSD11B1ALDH1A1LMNA
SCHEMBL5776155 0.72 HPGD (0.58) KMT2AMEN1CES2CES1ALDH1A1
SCHEMBL11482052 0.72 HPGD (0.52) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL11482047 0.72 HPGD (0.52) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL421902 0.71 KMT2A (0.73) KMT2AMEN1CES2CES1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed