SCHEMBL11680152

SCHEMBL11680152

c1cc2c(cc1CCCCCN1CCCCC1)Cc1cc(CCCCCN3CCCCC3)ccc1-2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.58
▸ HRH1 P35367 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ SCN5A Q14524 1/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ GRIN2B Q13224 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44

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
Hydrochloric Acid SCHEMBL11678798 0.98 SIGMAR1 (0.56) SIGMAR1HRH1KDM4EL3MBTL1HRH3
SCHEMBL11782472 0.98 HRH1 (0.58) SIGMAR1HRH1KDM4EL3MBTL1HRH3
SCHEMBL11678845 0.85 NPC1 (0.57) SIGMAR1
SCHEMBL11748974 0.84 SIGMAR1 (0.54) SIGMAR1HRH1HRH3DRD2SLC6A4
SCHEMBL11751988 0.84 SIGMAR1 (0.54) SIGMAR1HRH1HRH3DRD2SLC6A4
SCHEMBL11679286 0.83 SIGMAR1 (0.62) SIGMAR1HRH3ACHE
SCHEMBL11865232 0.82 SIGMAR1 (0.53) SIGMAR1HRH1HRH3DRD2SLC6A4
SCHEMBL11677731 0.79 HTT (0.39) SIGMAR1DRD2SLC6A4
SCHEMBL11637536 0.78 GRIN2B (0.55) SIGMAR1HRH1HRH3DRD2SLC6A4
SCHEMBL11677886 0.78 SIGMAR1 (0.70) SIGMAR1HRH3SLC6A4GRIN2B

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-4064347-A Bis-basic ketones of fluorene and fluorenone RICHARDSON-MERRELL INC. (US) 1977-12-20 — — US disclosed
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