SCHEMBL7534909

SCHEMBL7534909

COc1ccc(-c2cc3c(cc2C2=NCCN2)CCCC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 7/20 0.62
PTGIR P43119 2/20 0.54
KDM4E B2RXH2 1/20 0.50
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
SCHEMBL7539966 0.85 NISCH (0.59) NISCHADRA2AADRA2BADRA2CMAOA
SCHEMBL7540279 0.82 LMNA (0.58) NISCHADRA2AADRA2BADRA2CLMNA
SCHEMBL7534871 0.82 NISCH (0.64) NISCHADRA2AADRA2BADRA2CALDH1A1
SCHEMBL8202988 0.79 NISCH (0.71) NISCHPTGIRKDM4E
SCHEMBL9575256 0.78 NISCH (1.00) NISCHPTGIRKDM4E
SCHEMBL24495605 0.75 NISCH (0.68) NISCHPTGIRKDM4ELMNA
Hydrochloric Acid SCHEMBL8207897 0.73 ADRA2A (0.47) NISCHADRA2AADRA2BADRA2CLMNA
SCHEMBL26122325 0.72 NISCH (0.76) NISCHPTGIRKDM4EMAOAMAOB
SCHEMBL11162892 0.71 NISCH (0.58) NISCHPTGIRKDM4EADRA2AADRA2B
SCHEMBL6312711 0.71 NISCH (0.58) NISCHPTGIRKDM4EADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed