SCHEMBL28754396

SCHEMBL28754396

CC(C)(C)C(=O)Oc1ccc2c(N3CCNCC3)ccnc2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.55
ADRB2 P07550 3/20 0.55
IDE P14735 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CLK1 P49759 1/20 0.45
HTR6 P50406 2/20 0.44
GAA P10253 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CCR5 P51681 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1041663 0.81 NCF1 (0.81) NCF1ADRB2GAA
SCHEMBL27635274 0.80 HTR6 (0.50) NCF1MEN1KMT2AHTR6HTR1A
SCHEMBL27656331 0.77 HTR5A (0.60) NCF1HTR6HTR1AHTR1DHTR1B
SCHEMBL1043251 0.77 NCF1 (0.70) NCF1ADRB2MEN1KMT2ACLK1
SCHEMBL30058999 0.77 NCF1 (0.70) NCF1ADRB2MEN1KMT2ACLK1
SCHEMBL27605977 0.76 HTR3E (0.44) MEN1KMT2AHTR1AKDM4EMAPT
SCHEMBL1042083 0.76 NCF1 (0.68) NCF1ADRB2MEN1KMT2ACLK1
SCHEMBL1042082 0.76 NCF1 (0.68) NCF1ADRB2MEN1KMT2ACLK1
SCHEMBL27674608 0.75 HTR3E (0.43) MEN1KMT2AHTR1AHTR1DHTR1B
SCHEMBL27885936 0.75 NCF1 (0.55) NCF1ADRB2IDEMEN1KMT2A

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
CN-1694873-A Vanilloid receptor ligands and their use in treatments AMGEN INC (US) 2005-11-09 CN disclosed