SCHEMBL10445865

SCHEMBL10445865

Cc1ccc(N(c2ccccc2)c2cccc(OCCCCCCOc3cccc(N(c4ccccc4)c4ccccc4)c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.47
MTNR1B P49286 6/20 0.47
DRD2 P14416 5/20 0.46
DRD4 P21917 5/20 0.46
DRD3 P35462 4/20 0.45
TSHR P16473 1/20 0.45
KCNA3 P22001 1/20 0.44
LTA4H P09960 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
SCHEMBL2623406 0.96 MTNR1A (0.44) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL11887991 0.95 DRD2 (0.48) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL8944183 0.94 DRD2 (0.44) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL8944001 0.89 KCNA3 (0.56) MTNR1AMTNR1BTSHRKCNA3LTA4H
SCHEMBL8943634 0.85 DRD2 (0.49) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL11887992 0.84 MAOB (0.42) DRD2DRD4DRD3
SCHEMBL21028983 0.84 LTA4H (0.58) MTNR1AMTNR1BTSHRKCNA3LTA4H
SCHEMBL8943946 0.84 MAOB (0.48) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL8943678 0.84 KCNA3 (0.46) MTNR1AMTNR1BTSHRKCNA3LTA4H
SCHEMBL12780357 0.83 LTA4H (0.58) DRD2DRD4DRD3TSHRLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222807-B2 Organic electroluminescence device and method of producing organic device MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-17 US disclosed
US-20100090590-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND METHOD OF PRODUCING ORGANIC DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2010-04-15 US disclosed