SCHEMBL15510073

SCHEMBL15510073

NC1=N[C@]2(CO1)c1ccccc1Oc1ccc(C(=O)NCC3CCCCC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.46
KCNH2 Q12809 1/20 0.46
ROCK2 O75116 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC6 Q9UBN7 2/20 0.41
CA2 P00918 1/20 0.41
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.40
ITK Q08881 1/20 0.40
KIT P10721 1/20 0.40
MLYCD O95822 1/20 0.39
CTSD P07339 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL15509542 0.86 CNR2 (0.51) BACE1KCNH2KMT2ACTSDCNR2
SCHEMBL3272891 0.83 MEN1 (0.44) ROCK2MEN1KMT2AHDAC6CA2
SCHEMBL3272894 0.77 BACE1 (0.41) BACE1KCNH2NAMPTCNR2
SCHEMBL15509908 0.77 HPGD (0.46) BACE1CTSDCNR2
SCHEMBL6845308 0.74 BACE1 (0.58) BACE1KCNH2MEN1KMT2ACTSD
SCHEMBL2371257 0.73 BACE1 (0.54) BACE1KCNH2CTSD
SCHEMBL15518146 0.73 BACE1 (0.68) BACE1KCNH2CTSD
SCHEMBL15510201 0.71 BACE1 (0.59) BACE1KCNH2CTSD
SCHEMBL13383464 0.70 BACE1 (0.54) BACE1CTSD
SCHEMBL15510232 0.69 BACE1 (0.59) BACE1KCNH2CTSD

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-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed