SCHEMBL4646920

SCHEMBL4646920

O=S(=O)(NCCC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.41
SCN1A P35498 2/20 0.39
SCN8A Q9UQD0 2/20 0.39
NPY1R P25929 1/20 0.39
NPY5R Q15761 1/20 0.39
GFER P55789 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 4/20 0.34
ATM Q13315 1/20 0.34
PTGES O14684 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4647478 0.83 LSS (0.47) KDM4EALDH1A1TDP1POLBMEN1
SCHEMBL3376471 0.82 KDM4E (0.39) SCN1ASCN8ANPSR1KDM4EALDH1A1
SCHEMBL3409569 0.75 ADRA1A (0.37) SCN1ASCN8AKDM4EALDH1A1POLB
SCHEMBL4643540 0.74 POLB (0.38) SCN1ASCN8AKDM4EALDH1A1POLB
SCHEMBL3374944 0.74 PKM (0.40) KDM4EALDH1A1POLBMEN1TP53
SCHEMBL3375942 0.73 ALDH1A1 (0.37) SCN1ASCN8AKDM4EALDH1A1POLB
SCHEMBL4646472 0.73 TP53 (0.36) SCN1ASCN8AKDM4EALDH1A1POLB
SCHEMBL3375273 0.73 ALDH1A1 (0.41) KDM4EALDH1A1POLBMEN1TP53
SCHEMBL3377318 0.73 PKM (0.49) POLBMEN1TP53KMT2A
SCHEMBL4648354 0.72 POLB (0.43) KDM4EALDH1A1POLBMEN1KMT2A

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-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO disclosed