SCHEMBL8690554

SCHEMBL8690554

CN(C)CCOCCc1ccc2c(c1)CCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.40
▸ RXRB P28702 2/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL3812017 0.85 BIRC5 (0.43) HRH3KCNH2ALDH1A1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL3817536 0.84 BIRC5 (0.43) KCNH2ALDH1A1CYP1A2KMT2ASIGMAR1
SCHEMBL2097540 0.82 NPC1 (0.41) RXRBRXRARXRGALDH1A1MAPT
SCHEMBL15975066 0.79 SIGMAR1 (0.45) SLC6A4HRH3RXRBRXRARXRG
SCHEMBL5905888 0.73 HRH3 (0.64) HRH3
SCHEMBL3811959 0.73 ALOX15 (0.55) RXRBRXRARXRGALDH1A1
SCHEMBL3811595 0.72 TRPM8 (0.46) SLC6A4RXRBRXRARXRGMEN1
SCHEMBL3811751 0.72 SIGMAR1 (0.57) HRH3ALDH1A1CYP1A2SIGMAR1
SCHEMBL9720050 0.72 TSHR (0.46) RXRBRXRARXRGALDH1A1CYP1A2
SCHEMBL3817676 0.72 TAAR1 (0.51) SLC6A4SIGMAR1

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-5719150-A ALZHEIMER'S DISEASE TOYAMA CHEMICAL CO., LTD. (JP) 1998-02-17 — — US disclosed
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