SCHEMBL7367153

SCHEMBL7367153

OC(CNC1CC[CH]CC1)COc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
LMNA P02545 3/20 0.67
NPY1R P25929 1/20 0.56
ADRB2 P07550 3/20 0.54
ADRB1 P08588 3/20 0.54
ADRB3 P13945 3/20 0.54
CYP2D6 P10635 2/20 0.54
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL4897711 0.86 MEN1 (0.64) KMT2AMEN1LMNANPY1RADRB2
SCHEMBL4897725 0.86 MEN1 (0.64) KMT2AMEN1LMNANPY1RADRB2
SCHEMBL25053044 0.83 ADRB1 (0.69) KMT2AMEN1LMNANPY1RADRB2
SCHEMBL20854554 0.82 DRD4 (0.67) KMT2AMEN1LMNACYP2D6MAPT
SCHEMBL5799574 0.81 LMNA (0.61) KMT2AMEN1LMNANPY1RADRB2
SCHEMBL5814362 0.81 LMNA (0.61) KMT2AMEN1LMNANPY1RADRB2
SCHEMBL24225590 0.80 MEN1 (0.58) KMT2AMEN1LMNAADRB2ADRB1
SCHEMBL29045817 0.80 KMT2A (0.75) KMT2AMEN1LMNANPY1RMAPT
SCHEMBL20883491 0.79 LMNA (0.64) KMT2AMEN1LMNANPY1RADRB2
Hydrochloric Acid SCHEMBL5144170 0.77 KMT2A (0.63) KMT2AMEN1LMNANPY1RADRB2

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-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 WO disclosed