SCHEMBL2856944

SCHEMBL2856944

O=C(NCCCCc1ccccc1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CNR1 P21554 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
CCR1 P32246 2/20 0.41
FAAH O00519 1/20 0.40
ABCB1 P08183 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2855547 0.93 TAAR1 (0.54) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2850598 0.93 KDM4E (0.47) ALDH1A1KDM4EMAPTTP53FAAH
SCHEMBL2851231 0.91 MAPT (0.46) L3MBTL1ALDH1A1KDM4EMAPTFAAH
SCHEMBL2859861 0.89 TAAR1 (0.51) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2860669 0.88 TAAR1 (0.46) TAAR1LMNAALDH1A1CNR1KDM4E
SCHEMBL2853388 0.87 CCR1 (0.48) ALDH1A1KDM4ECNR2MAPTTP53
SCHEMBL2852505 0.87 ABCB1 (0.48) TAAR1LMNAALDH1A1CNR1MAPT
SCHEMBL2854509 0.86 KDM4E (0.50) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2852221 0.85 ALDH1A1 (0.46) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2860458 0.85 TP53 (0.46) TAAR1LMNAL3MBTL1CNR1MAPT

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