SCHEMBL4416624

SCHEMBL4416624

CCCC1CC(=O)N(Cn2c(Cc3ccccc3)nc3cc(C(F)(F)F)ccc32)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.54
CNR1 P21554 1/20 0.44
P2RX3 P56373 5/20 0.42
HDAC1 Q13547 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ACSL1 P33121 1/20 0.37
RORC P51449 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
IDH1 O75874 1/20 0.35

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
SCHEMBL664185 0.89 CNR2 (0.40) CNR2CNR1P2RX3SMN1; SMN2
SCHEMBL2954311 0.86 LMNA (0.48) TP53SMN1; SMN2
SCHEMBL5060899 0.85 CNR2 (0.42) CNR2CNR1P2RX3SMN1; SMN2ALDH1A1
SCHEMBL663056 0.84 CNR2 (0.37) CNR2CNR1P2RX3SMN1; SMN2ALDH1A1
SCHEMBL4408059 0.84 P2RX3 (0.40) CNR2CNR1P2RX3HDAC1TP53
SCHEMBL2960082 0.82 P2RX3 (0.44) P2RX3TP53SMN1; SMN2ALDH1A1
SCHEMBL661539 0.82 CNR2 (0.40) CNR2CNR1SMN1; SMN2
SCHEMBL662275 0.82 CNR2 (0.38) CNR2CNR1P2RX3TP53SMN1; SMN2
SCHEMBL662278 0.79 KDM4E (0.40) CNR2P2RX3TP53SMN1; SMN2ALDH1A1
SCHEMBL662244 0.79 KDM4E (0.34) CNR2CNR1P2RX3SMN1; SMN2ALDH1A1

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-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed