SCHEMBL5776352

SCHEMBL5776352

CC=C(c1cc(F)cc(F)c1)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MLYCD O95822 1/20 0.33
MEN1 O00255 1/20 0.33
GRIN2B Q13224 1/20 0.32
ALOX5 P09917 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 1/20 0.32

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 0.77 KMT2A (0.47) CES2CES1HPGDLMNAMAPT
SCHEMBL5774256 0.77 KMT2A (0.47) CES2CES1HPGDLMNAMAPT
SCHEMBL11482052 0.72 HPGD (0.52) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11482047 0.72 HPGD (0.52) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5775274 0.72 SMN1; SMN2 (0.40) SMN1; SMN2CES2CES1HPGDLMNA
SCHEMBL11475019 0.71 HPGD (0.55) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5776155 0.69 HPGD (0.58) SMN1; SMN2CES2CES1HPGDLMNA
SCHEMBL11476496 0.69 ALDH1A1 (0.46) HPGDLMNAMAPTALDH1A1KMT2A
SCHEMBL17244587 0.68 SLC6A2 (0.45) HPGDLMNASLC6A2SLC6A3MAPT
SCHEMBL2096388 0.68 CES2 (0.46) CES2CES1SLC6A3

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