SCHEMBL17196498

SCHEMBL17196498

NC(N)c1cccc(-c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.59
MAOA P21397 1/20 0.50
DPP4 P27487 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
AGXT P21549 1/20 0.41
MGLL Q99685 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL27315564 0.82 MAOA (0.46) F2MAOADPP4CHRNB2CHRNA4
SCHEMBL1252080 0.82 RXRA (0.49) F2MAOADPP4CHRNB2CHRNA4
SCHEMBL10145754 0.82 RXRA (0.49) F2MAOADPP4CHRNB2CHRNA4
SCHEMBL2845397 0.80 MAOA (0.48) MAOACHRNB2CHRNA4RXRARXRB
SCHEMBL14332317 0.79 F2 (0.61) F2DPP4TAAR1
SCHEMBL17266149 0.79 MAOA (0.43) F2MAOADPP4CHRNB2CHRNA4
SCHEMBL4624505 0.78 SLC6A2 (0.46) MAOACHRNB2CHRNA4RXRARXRB
SCHEMBL11339684 0.77 F2 (0.68) F2DPP4CHRNB2CHRNA4ALDH1A1
SCHEMBL4035873 0.77 CHRNB2 (0.42) MAOACHRNB2CHRNA4RXRARXRB
SCHEMBL3607604 0.77 HSD17B10 (0.50) RXRARXRBRXRGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115058092-B Electromagnetic shielding film based on microporous polymer in-situ load and preparation method thereof 西华大学 2023-05-05 CN disclosed
WO-2017105041-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-22 WO disclosed
WO-2016080791-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-05-26 WO disclosed
WO-2015190789-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-12-17 WO disclosed
WO-2015178732-A1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-11-26 WO disclosed
WO-2015170882-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-11-12 WO disclosed
WO-2015160224-A1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-10-22 WO disclosed