SCHEMBL12379511

SCHEMBL12379511

Cc1ccc(-c2cc(C)c(-c3ccc(N(C)c4cccc(OCCCCCc5ccc6c(c5)CC6)c4)cc3)cc2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.35
MTNR1B P49286 7/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC1 Q13547 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL16682925 0.83 MTNR1A (0.38) MTNR1AMTNR1BMAOAMAOBDRD2
SCHEMBL12619682 0.82 KCNH2 (0.40) MAOAMAOBDRD2DRD4DRD3
SCHEMBL12379558 0.82 TSHR (0.44) MTNR1AMTNR1B
SCHEMBL12379497 0.82 SIGMAR1 (0.35) BCHE
SCHEMBL12379486 0.82 SIGMAR1 (0.35) BCHE
SCHEMBL12619714 0.82 SIGMAR1 (0.35) BCHE
SCHEMBL12379528 0.81 SIGMAR1 (0.37) DRD2BCHE
SCHEMBL12379499 0.78 IGF1R (0.41) HRH3
SCHEMBL12619690 0.78 CHKA (0.35)
SCHEMBL12379519 0.78 CHKA (0.37)

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-20110198573-A1 CHARGE-TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2011-08-18 US disclosed