SCHEMBL19784818

SCHEMBL19784818

c1ccc(C(Cc2cccc3ccccc23)c2ccc(-c3ccc(N(c4ccc(-c5ccc(CC(c6ccccc6)c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.41
SLC6A4 P31645 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
ADRB2 P07550 4/20 0.34
MME P08473 2/20 0.33
ECE1 P42892 2/20 0.33
CTNNB1 P35222 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HRH4 Q9H3N8 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
SCHEMBL25681219 0.91 ACP3 (0.46) ACP3SLC6A4SIGMAR1ITGB1ITGA4
SCHEMBL18389579 0.91 ACP3 (0.46) ACP3SLC6A4SIGMAR1ITGB1ITGA4
SCHEMBL21699699 0.91 ACP3 (0.46) ACP3SLC6A4SIGMAR1ITGB1ITGA4
SCHEMBL20273883 0.91 ACP3 (0.49) ACP3SLC6A4SIGMAR1ITGB1ITGA4
SCHEMBL19784819 0.89 ACP3 (0.43) ACP3SLC6A4SIGMAR1
SCHEMBL24688407 0.89 SIGMAR1 (0.39) SLC6A4SIGMAR1ADRB2CTNNB1TDP1
SCHEMBL18884463 0.88 SIGMAR1 (0.40) ACP3SLC6A4SIGMAR1ADRB2MME
SCHEMBL22240228 0.87 ACP3 (0.46) ACP3SLC6A4SIGMAR1ITGB1ITGA4
SCHEMBL18978393 0.85 ACP3 (0.39) ACP3SLC6A4SIGMAR1ITGB1ITGA4
SCHEMBL19020359 0.84 SIGMAR1 (0.38) ACP3SLC6A4SIGMAR1ADRB2

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