SCHEMBL6956142

SCHEMBL6956142

CC1(c2cccc(C(F)(F)F)c2)[CH]ON1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
AR P10275 1/20 0.42
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
CCR2 P41597 2/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
KCNN4 O15554 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2C P28335 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 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
SCHEMBL6955139 0.79 MAOA (0.39) KDM1ASLC6A4SLC6A3SLC6A2TSHR
SCHEMBL5698966 0.72 KDM1A (0.51) KDM1AHCAR3HCAR2SLC6A4SLC6A3
SCHEMBL5698913 0.72 KDM1A (0.51) KDM1AHCAR3HCAR2SLC6A4SLC6A3
SCHEMBL10193786 0.72 KDM1A (0.54) KDM1AHCAR3HCAR2SLC6A4SLC6A3
SCHEMBL6961836 0.71 CHRNA1 (0.46) KDM1AHCAR2SLC6A4SLC6A3SLC6A2
SCHEMBL13733250 0.70 HCAR3 (0.53) KDM1AHCAR3HCAR2CCR2LMNA
SCHEMBL5728531 0.69 TACR1 (0.49) KDM1ASLC6A4SLC6A3SLC6A2CCR2
SCHEMBL30096889 0.68 KDM1A (0.46) KDM1AHCAR3HCAR2SLC6A4SLC6A3
SCHEMBL715748 0.67 LMNA (0.47) KDM1AHCAR3HCAR2ARCCR2
SCHEMBL377317 0.67 LMNA (0.47) KDM1AHCAR3HCAR2ARCCR2

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed