SCHEMBL16795306

SCHEMBL16795306

Oc1cc(Cl)cc(CNC2CCN(CCCN3CCCCC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.47
PRMT6 Q96LA8 2/20 0.47
HRH3 Q9Y5N1 4/20 0.46
ACHE P22303 8/20 0.43
BACE1 P56817 8/20 0.43
BCHE P06276 7/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
HTR4 Q13639 2/20 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
SCHEMBL16795291 0.82 CARM1 (0.47) CARM1PRMT6ACHEBACE1BCHE
SCHEMBL16795154 0.80 POLB (0.56) HRH3MEN1KMT2A
SCHEMBL16795221 0.77 HRH3 (0.40) CARM1PRMT6HRH3ACHEBACE1
SCHEMBL26268982 0.70 POLB (0.62) HRH3ACHEMEN1KMT2A
SCHEMBL16795141 0.70 CXCR3 (0.51) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL16795206 0.70 KCNH2 (0.49) HRH3SIGMAR1
Hydrochloric Acid SCHEMBL31567098 0.69 POLB (0.66) HRH3MEN1KMT2A
SCHEMBL16795145 0.66 L3MBTL1 (0.51) HRH3
SCHEMBL16795223 0.66 SIGMAR1 (0.56) MEN1KMT2ASIGMAR1
SCHEMBL16256975 0.65 SIGMAR1 (0.61) CARM1PRMT6ACHEBACE1BCHE

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
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed