SCHEMBL7410719

SCHEMBL7410719

COc1cccc(C(CN)C2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
AOC3 Q16853 3/20 0.44
FFAR1 O14842 4/20 0.44
TAAR1 Q96RJ0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10491910 0.83 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL10491904 0.83 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL10491912 0.83 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL13785322 0.80 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
Oxalic Acid SCHEMBL10491881 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3POLBALDH1A1
Oxalic Acid SCHEMBL10491878 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3POLBALDH1A1
Oxalic Acid SCHEMBL10491884 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL12193236 0.78 FFAR1 (0.65) FFAR1
SCHEMBL12193237 0.78 FFAR1 (0.65) FFAR1
SCHEMBL7404547 0.77 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3POLBALDH1A1

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
US-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed
EP-1121353-A1 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-08-08 EP disclosed
WO-2000021947-A1 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-04-20 WO disclosed