SCHEMBL2855708

SCHEMBL2855708

COc1cccc(OC)c1CNC(=O)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
CCR1 P32246 6/20 0.43
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR3C1 P04150 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
SMO Q99835 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
DGAT2 Q96PD7 1/20 0.37

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
SCHEMBL2858522 0.92 CCR1 (0.43) P2RX7CCR1ALDH1A1KDM4ELMNA
SCHEMBL2852117 0.89 P2RX7 (0.48) P2RX7CCR1ALDH1A1L3MBTL1LMNA
SCHEMBL2856615 0.89 P2RX7 (0.48) P2RX7CCR1ALDH1A1L3MBTL1KDM4E
SCHEMBL2853277 0.86 CCR1 (0.50) P2RX7CCR1LMNASMN1; SMN2SMO
SCHEMBL2860466 0.85 RCE1 (0.47) P2RX7CCR1ALDH1A1L3MBTL1LMNA
SCHEMBL2852975 0.85 CCR1 (0.55) CCR1ALDH1A1KDM4ELMNAMAPT
SCHEMBL2854804 0.85 MAPK1 (0.48) P2RX7CCR1ALDH1A1KDM4EMAPT
SCHEMBL2856797 0.84 P2RX7 (0.45) P2RX7CCR1ALDH1A1L3MBTL1NR3C1
SCHEMBL2853809 0.84 P2RX7 (0.49) P2RX7ALDH1A1MAPTHTTNPSR1
SCHEMBL2850550 0.83 CCR1 (0.54) P2RX7CCR1KDM4ENPSR1SMO

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed