SCHEMBL7015513

SCHEMBL7015513

Cc1nc2c(OCc3ccccc3)cccn2c1C1(N)CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.63
ATP4B P51164 4/20 0.63
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
MEN1 O00255 1/20 0.58
MAPK1 P28482 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
KMT2A Q03164 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
PSEN1 P49768 5/20 0.53
PSEN2 P49810 5/20 0.53
APH1B Q8WW43 5/20 0.53
NCSTN Q92542 5/20 0.53
APH1A Q96BI3 5/20 0.53
PSENEN Q9NZ42 5/20 0.53
AKT1 P31749 2/20 0.46
AKT2 P31751 2/20 0.46

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
SCHEMBL7011791 0.84 PSEN1 (0.51) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL2191144 0.78 ATP4A (1.00) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL6940664 0.78 ATP4A (0.72) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL2193469 0.77 ATP4A (0.76) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL15630705 0.77 ATP4A (0.79) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL8816284 0.76 ATP4A (0.74) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL11066583 0.76 ATP4A (0.77) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL1813915 0.76 ATP4A (1.00) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL17028948 0.74 ATP4A (0.72) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL1815961 0.74 ATP4A (1.00) ATP4AATP4BCYP1A2CYP3A4CYP2D6

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-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP claimed