SCHEMBL5754016

SCHEMBL5754016

CN1CCN(CC(=O)Nc2cc(O)c(Cn3nc(-c4ccc(C(F)(F)F)cc4)oc3=O)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
ACHE P22303 1/20 0.45
POLB P06746 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LYPLA1 O75608 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
DYRK1A Q13627 1/20 0.40
CETP P11597 1/20 0.38
WNT3A P56704 2/20 0.38
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL5755361 0.91 ACHE (0.58) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL5802067 0.91 POLB (0.45) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL7950910 0.90 TP53 (0.44) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL5755654 0.90 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EACHEPOLB
SCHEMBL5756424 0.85 KMT2A (0.36) ALDH1A1TSHRCYP2D6ACHEPOLB
SCHEMBL7957493 0.83 POLB (0.53) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL7952748 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL5801962 0.78 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EPOLBL3MBTL1
SCHEMBL7944633 0.76 TP53 (0.44) ALDH1A1TSHRCYP3A4CYP2C19USP2
SCHEMBL5753883 0.76 KMT2A (0.41) ALDH1A1CYP2C19KDM4ECYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915856-A4 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP claimed
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP claimed
WO-1998004135-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 WO claimed
EP-0915856-A4 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP disclosed
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP disclosed
WO-1998004135-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 WO disclosed