SCHEMBL3836703

SCHEMBL3836703

C(#Cc1ccc(C2CCC2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
FFAR1 O14842 1/20 0.47
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SLC18A3 Q16572 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
GRM5 P41594 1/20 0.40
ESR2 Q92731 1/20 0.40
FGFR2 P21802 1/20 0.40

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
SCHEMBL10476961 0.94 APP (0.48) APPFFAR1MAPTKDM4EMEN1
SCHEMBL3714277 0.91 APP (0.55) APPFFAR1MAPTKDM4EMEN1
SCHEMBL10091187 0.82 ESR2 (0.53) APPFFAR1MAPTKDM4EMEN1
SCHEMBL21511005 0.82 APP (0.44) APPFFAR1MAPTKDM4EMEN1
SCHEMBL12273056 0.82 SLC18A3 (0.68) APPFFAR1MAPTKMT2ASMN1; SMN2
SCHEMBL12279415 0.82 DRD2 (0.56) SLC18A3SIGMAR1
SCHEMBL12902344 0.80 GRM5 (0.49) SLC18A3SIGMAR1GRM5
SCHEMBL11025802 0.80 NPY5R (0.39) FFAR1MAPTKDM4EMEN1LMNA
SCHEMBL12279471 0.80 HTR3A (0.56) SLC18A3SIGMAR1
SCHEMBL2050 0.79 SLC18A3 (0.61) SLC18A3SIGMAR1

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-2104669-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2009-09-30 EP disclosed
WO-2008070016-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2008-06-12 WO disclosed