SCHEMBL11270522

SCHEMBL11270522

CN1CCC2(CC1)CN(c1ccccc1N)c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.55
ADRA2C P18825 1/20 0.54
P2RY1 P47900 2/20 0.47
SLC18A3 Q16572 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
SIGMAR1 Q99720 2/20 0.42
NOTUM Q6P988 2/20 0.41
DRD4 P21917 1/20 0.39
OPRM1 P35372 1/20 0.39
KEAP1 Q14145 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
Hydrochloric Acid SCHEMBL11096203 0.98 AKT1 (0.54) AKT1ADRA2CP2RY1SLC18A3HDAC1
SCHEMBL11093661 0.88 AKT1 (0.50) AKT1ADRA2CP2RY1SLC18A3HDAC1
Hydrochloric Acid SCHEMBL11090426 0.84 AKT1 (0.43) AKT1ADRA2CP2RY1SLC18A3HDAC1
SCHEMBL11083514 0.84 AKT1 (0.54) AKT1ADRA2CP2RY1SLC18A3HDAC1
SCHEMBL11091981 0.84 AKT1 (0.51) AKT1ADRA2CP2RY1SLC18A3HDAC1
SCHEMBL11089304 0.83 AKT1 (0.53) AKT1ADRA2CP2RY1SLC18A3HDAC1
SCHEMBL11373937 0.81 P2RY1 (0.55) AKT1P2RY1SLC18A3HDAC1HDAC6
SCHEMBL1572642 0.81 P2RY1 (0.53) AKT1P2RY1OPRM1
SCHEMBL2883895 0.80 SLC18A3 (0.61) AKT1P2RY1SLC18A3HDAC1HDAC6
Hydrochloric Acid SCHEMBL11085178 0.80 P2RY1 (0.54) AKT1P2RY1SLC18A3HDAC1HDAC6

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
US-4345081-A Spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1982-08-17 US claimed
US-4209625-A Spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1980-06-24 US claimed