SCHEMBL2124934

SCHEMBL2124934

[CH2].c1cc2cc(-c3ccc(N4CCN5CCCC(C5)C4)nn3)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.53
KCNH2 Q12809 7/20 0.53
KDM1A O60341 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL2126948 0.78 CHRNA7 (0.52) CHRNA7
SCHEMBL2126814 0.71 CYP1A2 (0.50)
SCHEMBL3190613 0.68 CHRNA7 (0.67) CHRNA7KCNH2KDM1A
SCHEMBL3778633 0.67 NPC1 (0.44) CHRNA7
SCHEMBL17004229 0.65 CHRNA7 (0.48) CHRNA7KCNH2KDM1ASLC6A2SLC6A4
SCHEMBL20473669 0.64 CHRNB2 (0.66) CHRNA7
SCHEMBL15441312 0.64 CHRNB2 (0.66) CHRNA7
SCHEMBL4313562 0.64 SLC6A4 (0.69) CHRNA7KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2126338 0.63 CHRNA7 (0.46) CHRNA7
SCHEMBL745700 0.63 CHRNA7 (0.52) CHRNA7KCNH2KDM1ASLC6A2SLC6A4

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-2443122-A1 DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-04-25 EP disclosed
WO-2010145208-A1 DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-12-23 WO disclosed