SCHEMBL22663972

SCHEMBL22663972

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c5c(c6ccccc6c4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CHRND Q07001 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 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
SCHEMBL22663791 0.93 — —
SCHEMBL22663973 0.93 — —
SCHEMBL22663732 0.92 — —
SCHEMBL22656924 0.91 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL17449747 0.88 GPR84 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL17449744 0.88 — —
SCHEMBL26380002 0.88 — —
SCHEMBL26381038 0.88 — —
SCHEMBL22663733 0.87 — —
SCHEMBL22656944 0.87 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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-20200365813-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2020-11-19 — — US disclosed
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