SCHEMBL9429628

SCHEMBL9429628

CCCN(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)CCC(C)(C)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 7/20 0.42
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
MME P08473 1/20 0.40
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
PTPN1 P18031 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
PTPN5 P54829 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 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
SCHEMBL9429769 0.94 LTB4R2 (0.49) LTB4R2OXTRAVPR1AFFAR1AKR1B1
SCHEMBL9429437 0.85 LTB4R2 (0.48) LTB4R2OXTRAVPR1APTPN1HDAC1
SCHEMBL9430109 0.83 OXTR (0.42) LTB4R2OXTRAVPR1AMMEFFAR1
SCHEMBL9429387 0.83 LTB4R2 (0.46) LTB4R2OXTRAVPR1AMMEFFAR1
SCHEMBL9429910 0.80 LTB4R2 (0.53) LTB4R2OXTRAVPR1AFFAR1AKR1B1
SCHEMBL9429450 0.79 AGTR1 (0.42) LTB4R2
SCHEMBL2225 0.79 LTB4R2 (0.54) LTB4R2OXTRAVPR1AHDAC1HDAC6
SCHEMBL1986 0.79 LTB4R2 (0.53) LTB4R2OXTRAVPR1AHDAC1HDAC6
SCHEMBL9429460 0.77 LTB4R2 (0.53) LTB4R2OXTRAVPR1AFFAR1AKR1B1
SCHEMBL2305 0.77 LTB4R2 (0.50) LTB4R2OXTRAVPR1AFFAR1AKR1B1

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-5369110-A Hypotensive agents, cardiac insufficiency treatment CIBA-GEIGY CORPORATION (US) 1994-11-29 US disclosed
EP-0490820-A2 Biphenylyl compounds CIBA-GEIGY AG (CH) 1992-06-17 EP disclosed