SCHEMBL2854859

SCHEMBL2854859

NC(=O)C1[CH]CCN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
POLB P06746 3/20 0.45
HTR2C P28335 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLA2G10 O15496 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1D P28221 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.42

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
SCHEMBL31381163 0.73 NOTUM (0.70) NOTUMPOLBHTR2CALDH1A1TSHR
SCHEMBL3773773 0.73 KDM4E (0.62) POLBALDH1A1LMNAHTTL3MBTL1
SCHEMBL34469814 0.73 NOTUM (0.52) NOTUMPOLBHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL34469418 0.72 NOTUM (0.68) NOTUMPOLBHTR2CALDH1A1TSHR
SCHEMBL3097846 0.67 POLB (0.60) NOTUMPOLBALDH1A1TSHRLMNA
SCHEMBL27782378 0.67 HTR2C (0.54) NOTUMPOLBHTR2CHTR2AHTR2B
SCHEMBL23777729 0.67 NOTUM (0.54) NOTUMPOLBALDH1A1TSHRLMNA
SCHEMBL23777631 0.67 NOTUM (0.54) NOTUMPOLBALDH1A1TSHRLMNA
SCHEMBL23777635 0.67 NOTUM (0.54) NOTUMPOLBALDH1A1TSHRLMNA
SCHEMBL7768606 0.67 LMNA (0.56) POLBHTR2CALDH1A1TSHRLMNA

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