SCHEMBL5774166

SCHEMBL5774166

C=C(c1cccc(OC)c1)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.52
CHRNG P07510 1/20 0.52
CHRNB1 P11230 1/20 0.52
CHRNB2 P17787 1/20 0.52
SLC6A2 P23975 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CHRND Q07001 1/20 0.52
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL11765436 0.86 L3MBTL1 (0.70) HTTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL2536884 0.81 L3MBTL1 (0.76) HTTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL8131741 0.80 KMT2A (0.43) HTTALDH1A1NPC1RAB9AMEN1
SCHEMBL5949604 0.80 SMN1; SMN2 (0.66) HTTL3MBTL1NPSR1ALDH1A1MEN1
SCHEMBL2534098 0.79 L3MBTL1 (0.74) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24042716 0.79 ALDH1A1 (0.49) L3MBTL1ALDH1A1TSHRGAAKMT2A
SCHEMBL20310119 0.78 FAAH (0.65) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL15036777 0.77 L3MBTL1 (0.76) HTTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL25077820 0.77 FAAH (0.68) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL8386422 0.76 ALDH1A1 (0.48) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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 5 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
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed