SCHEMBL3708205

SCHEMBL3708205

COc1ccccc1N1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.61
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.57
HTR7 P34969 3/20 0.54
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
Hydrochloric Acid SCHEMBL3703420 0.99 C5AR1 (0.60) C5AR1KDM4EALDH1A1KMT2AHTR7
SCHEMBL3710001 0.88 KDM4E (0.62) KDM4EALDH1A1KMT2AHTR7MEN1
Hydrochloric Acid SCHEMBL3708648 0.85 C5AR1 (0.58) C5AR1KDM4EALDH1A1HTR7TDP1
SCHEMBL3706431 0.84 GLA (0.62) C5AR1KDM4EALDH1A1KMT2A
SCHEMBL3705468 0.84 KDM4E (0.57) C5AR1KDM4EALDH1A1KMT2ATDP1
Hydrochloric Acid SCHEMBL3704470 0.84 KDM4E (0.56) C5AR1KDM4EALDH1A1KMT2ATDP1
SCHEMBL3705960 0.84 HTR7 (0.65) KDM4EALDH1A1KMT2AHTR7MEN1
SCHEMBL3563737 0.81 KDM4E (0.64) KDM4EALDH1A1KMT2AHTR7MEN1
SCHEMBL3704635 0.81 ALDH1A1 (0.64) C5AR1KDM4EALDH1A1KMT2ATDP1
Hydrochloric Acid SCHEMBL3710903 0.80 KDM4E (0.62) KDM4EALDH1A1KMT2AHTR7MEN1

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
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 WO claimed
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 WO disclosed