SCHEMBL5209997

SCHEMBL5209997

Brc1cccc(-c2c[nH]c(C3CCCCC3)n2)c1.O=C(O)Nc1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 6/20 0.38
ADORA1 P30542 3/20 0.37
CAMKK1 Q8N5S9 2/20 0.37
CAMKK2 Q96RR4 2/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 1/20 0.36
ABL1 P00519 1/20 0.36
PDGFRB P09619 1/20 0.36
BCR P11274 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 1/20 0.36
MEN1 O00255 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
GRK2 P25098 1/20 0.35
CASP6 P55212 1/20 0.35

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
SCHEMBL5204958 0.85 ALDH1A1 (0.45) ALDH1A1LMNAADORA1ADORA3ADORA2A
SCHEMBL5207681 0.78 KMT2A (0.36) ALDH1A1LMNAKMT2AADORA1ADORA3
SCHEMBL14834449 0.78 IDO1 (0.44) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL5203636 0.77 NPC1 (0.45) KMT2AMEN1MAPTPOLB
SCHEMBL5203627 0.77 NPC1 (0.45) KMT2AMEN1MAPTPOLB
SCHEMBL15732597 0.76 POLB (0.43) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL242610 0.72 ADORA1 (0.52) ADORA1ADORA3ADORA2AADORA2BTDP1
SCHEMBL18340878 0.72 KMT2A (0.45) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL5207569 0.71 KMT2A (0.41) ALDH1A1LMNAKMT2AADORA1ADORA2A
SCHEMBL5203657 0.69 CKS1B (0.41) ALDH1A1LMNAKMT2AMEN1MAPT

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
EP-1306085-B1 2-Cyclohexyl-4-phenyl-1H-imidazole derivatives as ligands for the neuropeptide Y5 receptor NEUROGEN CORP (US) 2007-02-14 EP claimed