SCHEMBL4757941

SCHEMBL4757941

COc1ccc(NC[CH]Oc2ccccc2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 3/20 0.48
GAA P10253 4/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6787147 0.77 ALDH1A1 (0.55) ALDH1A1HPGDGAAKMT2AMAPT
SCHEMBL10787691 0.76 RAB9A (0.55) ALDH1A1NPC1RAB9AHPGDGAA
SCHEMBL8944417 0.75 HPGD (0.62) ALDH1A1NPC1RAB9AHPGDGAA
SCHEMBL3372005 0.73 ALDH1A1 (0.57) ALDH1A1HPGDGAAKMT2AMAPT
SCHEMBL2739945 0.72 ALDH1A1 (0.56) ALDH1A1HPGDGAAKMT2AMAPT
SCHEMBL10785269 0.70 GAA (0.70) ALDH1A1NPC1RAB9AHPGDGAA
SCHEMBL5842593 0.70 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AHPGDGAA
SCHEMBL28803519 0.70 CHRM2 (0.60) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL23097564 0.69 FERMT2 (0.55) ALDH1A1HPGDGAAKMT2AMAPT
SCHEMBL2434485 0.69 ALDH1A1 (0.57) ALDH1A1HPGDGAASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896048-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-03-12 EP disclosed
WO-2006121588-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006091506-A2 NEUROPEPTIDE Y4 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 WO disclosed
WO-2006049681-A2 SELECTIVE NEUROPEPTIDE Y2 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-11 WO disclosed