SCHEMBL6749845

SCHEMBL6749845

Cc1ccc2ccccc2c1NCc1ccccc1C1=NCCCN1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 9/20 0.45
▸ CFB P00751 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ADRA1A P35348 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL4364559 0.80 NISCH (0.47) NISCHGAATSHRADRA1ALMNA
SCHEMBL4819258 0.77 NISCH (0.52) NISCHSMN1; SMN2NLRP3GAATSHR
SCHEMBL4360889 0.75 NISCH (0.58) NISCHGAATSHRADRA1ALMNA
SCHEMBL4819055 0.74 NISCH (0.45) NISCHSMN1; SMN2NLRP3GAATSHR
SCHEMBL14027009 0.73 NISCH (0.50) NISCHGAATSHRADRA1ALMNA
SCHEMBL4825416 0.73 NISCH (0.56) NISCHADRA1ALMNAHTR1AADRA2A
SCHEMBL4821104 0.72 NISCH (0.51) NISCHGAATSHRADRA1ALMNA
SCHEMBL4158125 0.71 NISCH (0.53) NISCHSMN1; SMN2NLRP3GAATSHR
SCHEMBL4360835 0.71 NISCH (0.53) NISCHSMN1; SMN2
SCHEMBL4365831 0.70 NISCH (0.55) NISCHGAATSHRADRA1ALMNA

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
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 — — US disclosed
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