SCHEMBL7440314

SCHEMBL7440314

CCCCOC(=O)NCC(C)CCC(O)CCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ACHE P22303 14/20 0.44
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38

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
SCHEMBL9513038 0.81 ACHE (0.60) HRH4HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL28522595 0.80 ACHE (0.56) NPC1RAB9ASMN1; SMN2LMNAACHE
SCHEMBL2455891 0.79 HRH4 (0.48) HRH4HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL21359259 0.79 ACHE (0.51) HRH4HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL31614616 0.78 ACHE (0.55) NPC1RAB9ASMN1; SMN2LMNAACHE
SCHEMBL10580487 0.78 ACHE (0.55) NPC1RAB9ASMN1; SMN2LMNAACHE
SCHEMBL7046687 0.78 NPC1 (0.48) HRH4HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL21359173 0.77 ACHE (0.50) HRH4HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL20528136 0.77 NPC1 (0.47) HRH4HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL1287156 0.76 NPC1 (0.49) HRH4HRH3NPC1RAB9ASMN1; SMN2

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-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 — — US disclosed
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