SCHEMBL5366354

SCHEMBL5366354

Nc1ccc2nc(C3CCCCCC3)cc(N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ GFER P55789 3/20 0.48
▸ MCHR1 Q99705 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ HRH4 Q9H3N8 3/20 0.41
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL5349078 0.98 MCHR1 (0.47) MAPTKDM4EGFERMCHR1ALDH1A1
SCHEMBL5352801 0.95 MCHR1 (0.47) MAPTKDM4EGFERMCHR1ALDH1A1
SCHEMBL4816102 0.92 POLB (0.43) MAPTKDM4EGFERMCHR1ALDH1A1
SCHEMBL4817686 0.80 DHODH (0.53) MAPTKDM4EGFERALDH1A1NPC1
SCHEMBL17786499 0.71 KDM4E (0.64) MAPTKDM4EGFERALDH1A1NPC1
SCHEMBL28476846 0.70 PLAU (0.52) MAPTKDM4EALDH1A1SMN1; SMN2ACHE
SCHEMBL24165902 0.69 BACE1 (0.42) MAPTKDM4EGFERNPC1RAB9A
SCHEMBL24165808 0.69 BACE1 (0.42) MAPTKDM4EGFERNPC1RAB9A
SCHEMBL24165924 0.69 BACE1 (0.42) MAPTKDM4EGFERNPC1RAB9A
SCHEMBL24165807 0.69 BACE1 (0.42) MAPTKDM4EGFERNPC1RAB9A

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-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 — — US disclosed
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