SCHEMBL19784819

SCHEMBL19784819

c1ccc(CC(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 0.43
SLC6A4 P31645 1/20 0.39
SIGMAR1 Q99720 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
ADRB3 P13945 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A3 Q01959 1/20 0.32
MPO P05164 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL20273883 0.95 ACP3 (0.49) ACP3SLC6A4SIGMAR1L3MBTL1ALDH1A1
SCHEMBL18389579 0.95 ACP3 (0.46) ACP3SLC6A4SIGMAR1L3MBTL1ADRB3
SCHEMBL21699699 0.95 ACP3 (0.46) ACP3SLC6A4SIGMAR1L3MBTL1ADRB3
SCHEMBL25681219 0.95 ACP3 (0.46) ACP3SLC6A4SIGMAR1L3MBTL1ADRB3
SCHEMBL19784820 0.94 ACP3 (0.41) ACP3SLC6A4SIGMAR1L3MBTL1ADRB3
SCHEMBL24831546 0.91 SIGMAR1 (0.39) ACP3SLC6A4SIGMAR1L3MBTL1PPARG
SCHEMBL22240228 0.91 ACP3 (0.46) ACP3SLC6A4SIGMAR1L3MBTL1PPARG
SCHEMBL19020359 0.90 SIGMAR1 (0.38) ACP3SLC6A4SIGMAR1L3MBTL1PPARG
SCHEMBL19784818 0.89 ACP3 (0.41) ACP3SLC6A4SIGMAR1
SCHEMBL18899208 0.85 ACP3 (0.42) ACP3SLC6A4SIGMAR1L3MBTL1ADRB3

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
WO-2018012780-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2018-01-18 WO disclosed