SCHEMBL3059

SCHEMBL3059

CCOC(=O)C1CCCCC1NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.43
SCN9A Q15858 6/20 0.42
MYC P01106 1/20 0.42
WDR5 P61964 1/20 0.42
ADAM17 P78536 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
LTA4H P09960 1/20 0.39
SRC P12931 1/20 0.39
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 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
SCHEMBL3057 1.00 CTSB (0.43) CTSBSCN9AMYCWDR5ADAM17
SCHEMBL16839778 0.84 ATM (0.49) CTSBSCN9AHRH3LTA4HTAS1R3
SCHEMBL16839746 0.84 ATM (0.49) CTSBSCN9AHRH3LTA4HTAS1R3
SCHEMBL3536 0.82 MEN1 (0.44) MYCWDR5ADAM17OXTRAVPR1A
SCHEMBL3537 0.82 MEN1 (0.44) MYCWDR5ADAM17OXTRAVPR1A
SCHEMBL2260 0.82 ATM (0.42) MYCWDR5ADAM17OXTRAVPR1A
SCHEMBL4489378 0.80 CTSB (0.47) CTSBLTA4HTAS1R3TAS1R1
SCHEMBL7890595 0.80 CTSB (0.47) CTSBLTA4HTAS1R3TAS1R1
SCHEMBL13282255 0.80 CTSB (0.47) CTSBLTA4HTAS1R3TAS1R1
SCHEMBL4488175 0.78 SSTR3 (0.56) CTSBSCN9AHRH3TAS1R3TAS1R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed