SCHEMBL4729372

SCHEMBL4729372

[CH2]C(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
ADK P55263 1/20 0.48
NISCH Q9Y2I1 1/20 0.48
ADRA2A P08913 3/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
TAAR1 Q96RJ0 4/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 3/20 0.39
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
F2RL1 P55085 1/20 0.36
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1A P35348 2/20 0.34

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
SCHEMBL1348889 0.82 SLC6A2 (0.50) MTORADKNISCHADRA2AADRA2B
SCHEMBL9386046 0.79 NISCH (0.44) MTORADKNISCHADRA2AADRA2B
SCHEMBL28000044 0.78 ADRA2A (0.60) MTORADKNISCHADRA2AADRA2B
SCHEMBL8201456 0.78 MTOR (0.47) MTORADKNISCHADRA2AADRA2B
SCHEMBL8700070 0.78 MTOR (0.47) MTORADKNISCHADRA2AADRA2B
SCHEMBL2205006 0.78 F2RL1 (0.48) MTORADKNISCHADRA2AADRA2B
SCHEMBL698729 0.78 ADRA2A (0.60) MTORADKNISCHADRA2AADRA2B
SCHEMBL4363951 0.78 MTOR (0.47) MTORADKNISCHADRA2AADRA2B
SCHEMBL7697822 0.78 MTOR (0.43) MTORADKNISCHADRA2AADRA2B
SCHEMBL953558 0.77 ADRA2A (0.48) MTORADKNISCHADRA2AADRA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008054475-A2 NEURAMINIDASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-05-08 WO claimed
WO-2008054475-A2 NEURAMINIDASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-05-08 WO disclosed
EP-1171510-A1 CONDENSATION POLYMER CONTAINING DIALKYLAMIDE ENDGROUPS, PROCESS FOR PRODUCING SAID CONDENSATION POLYMERS AND APPLICATIONS THEREOF DSM N.V. (NL) 2002-01-16 EP disclosed
WO-2000058388-A1 CONDENSATION POLYMER CONTAINING DIALKYLAMIDE ENDGROUPS, PROCESS FOR PRODUCING SAID CONDENSATION POLYMERS AND APPLICATIONS THEREOF DSM N.V. (NL) 2000-10-05 WO disclosed