Sugi Predict

Sugi Predict / Compounds / SCHEMBL8118488

SCHEMBL8118488

SCHEMBL8118488

CCCCCCN(Cc1cccc(-c2cnc(-c3ccccc3)[nH]2)c1)N(CCc1ccc(C)cc1)Cc1cccc(-c2cnc(-c3ccc(F)cc3)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.39
▸ SCN2A Q99250 6/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ NPY5R Q15761 2/20 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
SCHEMBL8118487 0.81 CYP1A2 (0.41) HPGDSSCN2A
SCHEMBL8188950 0.77 BACE1 (0.45) HPGDSSCN2ABACE1NPY5R
SCHEMBL7141176 0.74 CYP1A2 (0.46) HPGDSSCN2ABACE1NPY5R
SCHEMBL7138024 0.74 SSTR3 (0.47) HPGDSSCN2ABACE1NPY5R
SCHEMBL7135108 0.73 CYP1A2 (0.46) HPGDSSCN2ABACE1NPY5R
SCHEMBL8110914 0.72 CYP1A2 (0.44) HPGDSSCN2ABACE1NPY5R
SCHEMBL7138181 0.70 HPGDS (0.49) HPGDSSCN2ABACE1NPY5R
SCHEMBL8110918 0.69 BACE1 (0.46) HPGDSSCN2ABACE1NPY5R
SCHEMBL7143626 0.69 BACE1 (0.45) HPGDSSCN2ABACE1NPY5R
SCHEMBL7143456 0.69 SCN2A (0.51) HPGDSSCN2ANPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 — — EP disclosed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 — — WO disclosed