SCHEMBL11049690

SCHEMBL11049690

CCOC(=O)CC=C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
ADORA1 P30542 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CCR8 P51685 1/20 0.46
PRMT1 Q99873 1/20 0.45

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
SCHEMBL9690053 0.82 MEN1 (0.48) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL4579407 0.82 KMT2A (0.56) MEN1KMT2ALMNAMAPTADORA1
Hydrochloric Acid SCHEMBL9538926 0.81 MEN1 (0.55) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL4083554 0.78 LMNA (0.60) MEN1KMT2ALMNACYP3A4CYP2D6
SCHEMBL9643788 0.78 LMNA (0.60) MEN1KMT2ALMNACYP3A4CYP2D6
SCHEMBL9020807 0.78 MEN1 (0.52) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL31397280 0.78 MEN1 (0.52) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL9020812 0.78 MEN1 (0.52) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL8380136 0.77 SIGMAR1 (0.57) MEN1KMT2ALMNACYP3A4SIGMAR1
SCHEMBL2831250 0.77 MEN1 (0.54) MEN1KMT2ALMNAMAPTADORA1

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
EP-0135318-A1 Quinazoline cardiac stimulants Pfizer Limited (GB) 1985-03-27 EP disclosed