SCHEMBL4671906

SCHEMBL4671906

[CH2]C(C)(C)C(N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
F2 P00734 1/20 0.46
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
AOC3 Q16853 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL8761852 0.82 DPP4 (0.52) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL8761844 0.82 DPP4 (0.52) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL1358135 0.82 DPP4 (0.52) DPP4F2ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL23292667 0.80 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL197657 0.80 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
Water SCHEMBL8528911 0.80 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
Iodide SCHEMBL4994551 0.80 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL1751595 0.78 DPP4 (0.48) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL1152702 0.76 ADRA2A (0.46) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL1152705 0.76 ADRA2A (0.46) DPP4F2ADRA2AADRA2CLMNA

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-1042293-B9 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC (US) 2008-09-03 EP disclosed
EP-1042293-B1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC (US) 2008-03-19 EP disclosed