SCHEMBL25791453

SCHEMBL25791453

CC1(C)c2cc(-c3cc4c5ccccc5c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4c4ccccc34)ccc2-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc21

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNG P07510 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CHRND Q07001 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
SCHEMBL25775746 0.91 — —
SCHEMBL25791100 0.91 KDM4E (0.31) —
SCHEMBL25791407 0.91 PDK2 (0.33) —
SCHEMBL16996084 0.90 KDM4E (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL15138196 0.89 SIGMAR1 (0.34) —
SCHEMBL25788963 0.89 KDM4E (0.32) —
SCHEMBL25783558 0.89 — —
SCHEMBL15138549 0.88 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25790300 0.88 — —
SCHEMBL25791594 0.88 PDK2 (0.31) —

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-20230212334-A1 POLYMER, ELECTROLUMINESCENCE MATERIAL, ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2023-07-06 — — US disclosed
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