SCHEMBL15049876

SCHEMBL15049876

CC[C@H](c1ccccc1)N(C)C(=O)c1cnn(C2CCN(C(=O)Cc3cc(C)ccc3C)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 14/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNA1B Q00975 2/20 0.34
CACNB1 Q02641 2/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1C Q13936 1/20 0.34
TACR1 P25103 2/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL2581288 0.80 FAAH (0.39) TACR1LMNAHTT
SCHEMBL2583858 0.80 MAPT (0.36) TACR1LMNAMAPT
SCHEMBL2581184 0.66 L3MBTL1 (0.56) LMNAMAPTHTT
SCHEMBL2584190 0.66 CCR3 (0.40) CCR3LMNAMAPTHTT
SCHEMBL2578116 0.65 HDAC3 (0.47) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL22800924 0.64 MEN1 (0.50) LMNAMAPTHTT
SCHEMBL2575585 0.64 HDAC3 (0.45) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL30791191 0.63 MAPT (0.66) LMNAMAPTHTT
SCHEMBL3686275 0.62 ALDH1A1 (0.41) CCR3LMNAMAPTHTT
SCHEMBL2580999 0.62 KDM4E (0.43) LMNA

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
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed