SCHEMBL7445771

SCHEMBL7445771

OC(CBr)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SLC22A2 O15244 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
IDO1 P14902 1/20 0.34
EPHX2 P34913 3/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
DPP4 P27487 1/20 0.31

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
SCHEMBL7442387 1.00 MEN1 (0.47) MEN1KMT2ASLC22A2SLC47A1MAPT
SCHEMBL3813603 0.78 KMT2A (0.48) MEN1KMT2ASLC22A2SLC47A1MAPT
SCHEMBL2965277 0.76 KMT2A (0.47) MEN1KMT2ASLC22A2SLC47A1MAPT
SCHEMBL3180369 0.76 MEN1 (0.47) MEN1KMT2ASLC22A2SLC47A1MAPT
Ammonia Solution, Strong SCHEMBL11633437 0.74 KMT2A (0.46) MEN1KMT2ASLC22A2SLC47A1MAPT
SCHEMBL18010455 0.74 KMT2A (0.46) MEN1KMT2ASLC22A2SLC47A1MAPT
SCHEMBL14306348 0.72 SLC22A2 (0.44) MEN1KMT2ASLC22A2SLC47A1MAPT
SCHEMBL18135491 0.71 MEN1 (0.43) MEN1KMT2ASLC22A2SLC47A1SMN1; SMN2
SCHEMBL27694055 0.71 ALDH1A1 (0.39) MEN1KMT2ASLC22A2SLC47A1MAPT
SCHEMBL4027679 0.71 SLC22A2 (0.48) MEN1KMT2ASLC22A2SLC47A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO disclosed