SCHEMBL7473697

SCHEMBL7473697

COC(Oc1cccc(CC#N)c1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.39
ENPP2 Q13822 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
GHSR Q92847 2/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL7680083 0.79 ENPP2 (0.45) MMP3ENPP2ALDH1A1TAAR1FFAR4
SCHEMBL101334 0.74 TAAR1 (0.55) ENPP2TAAR1
SCHEMBL8506181 0.73 ENPP2 (0.45) MMP3ENPP2TAAR1FFAR1FFAR4
SCHEMBL5176295 0.73 MEP1B (0.47) MMP3ENPP2FFAR1FFAR4HCRTR1
SCHEMBL8784075 0.69 TAAR1 (0.49) ENPP2ALDH1A1TAAR1
SCHEMBL2294721 0.68 TP53 (0.50) MMP3ENPP2ALDH1A1
SCHEMBL30245956 0.68 KDM4E (0.47) MMP3ENPP2ALDH1A1
SCHEMBL29194698 0.68 KDM4E (0.47) MMP3ENPP2ALDH1A1
SCHEMBL7265579 0.68 PRMT5 (0.43) MMP3ENPP2ALDH1A1TAAR1
SCHEMBL10545623 0.68 SMN1; SMN2 (0.56) ENPP2ALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636025-A4 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES. 1995-02-22 EP disclosed
EP-0636025-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-02-01 EP disclosed
WO-1993019750-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed