SCHEMBL5352801

SCHEMBL5352801

Nc1ccc2nc(C3CCC3)cc(N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.47
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ ACHE P22303 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HRH4 Q9H3N8 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ BACE1 P56817 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ EPRS1 P07814 1/20 0.34
▸ PLAU P00749 1/20 0.33

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 0.97 MCHR1 (0.47) MCHR1MAPTKDM4EGFERACHE
SCHEMBL5366354 0.95 MAPT (0.48) MCHR1MAPTKDM4EGFERACHE
SCHEMBL4816102 0.93 POLB (0.43) MCHR1MAPTKDM4EGFERACHE
SCHEMBL4817686 0.76 DHODH (0.53) MAPTKDM4EGFERACHEALDH1A1
SCHEMBL28476846 0.71 PLAU (0.52) MAPTKDM4EACHEALDH1A1SMN1; SMN2
SCHEMBL5348766 0.70 ACHE (0.38) MCHR1MAPTKDM4EGFERACHE
SCHEMBL5347416 0.69 PLAU (0.55) MAPTKDM4EGFERACHEALDH1A1
SCHEMBL5356709 0.69 MCHR1 (0.55) MCHR1MAPTKDM4ENPC1RAB9A
SCHEMBL31677954 0.69 POLB (0.49) MAPTKDM4EACHEALDH1A1RAB9A
SCHEMBL30998387 0.69 HRH4 (0.50) KDM4EACHEALDH1A1NPC1RAB9A

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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