SCHEMBL8722756

SCHEMBL8722756

COc1ccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)cc1N1CCN(C)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.72
DRD4 P21917 1/20 0.72
HTR1A P08908 6/20 0.72
HTR1D P28221 6/20 0.72
HTR1B P28222 6/20 0.72
HTR2C P28335 4/20 0.72
HTR6 P50406 3/20 0.72
HTR2A P28223 2/20 0.72
HTR7 P34969 2/20 0.72
ALDH1A1 P00352 4/20 0.71
TSHR P16473 4/20 0.71
KDM4E B2RXH2 3/20 0.71
HTT P42858 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
USP2 O75604 1/20 0.70
LMNA P02545 1/20 0.67
MAPK1 P28482 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62

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
SCHEMBL8720632 0.86 MEN1 (0.69) MAPTDRD4HTR1AHTR7ALDH1A1
SCHEMBL4005507 0.84 DRD4 (1.00) MAPTDRD4ALDH1A1TSHRKDM4E
SCHEMBL8759779 0.84 HTR1A (1.00) MAPTHTR1AHTR1DHTR1BHTR2C
SCHEMBL18658203 0.81 TSHR (0.76) MAPTDRD4HTR1AHTR7ALDH1A1
SCHEMBL14734295 0.80 HTR1D (0.62) MAPTHTR1AHTR1DHTR1BHTR2C
SCHEMBL8720335 0.80 HTR1A (0.61) DRD4HTR1AHTR1DHTR1BHTR2C
SCHEMBL11117410 0.80 KDM4E (0.66) MAPTDRD4HTR1AALDH1A1TSHR
SCHEMBL4032615 0.80 ALDH1A1 (0.65) MAPTDRD4HTR2CHTR2AALDH1A1
SCHEMBL6354568 0.80 HTR1D (0.57) HTR1AHTR1DHTR1BHTR2C
SCHEMBL14207957 0.79 MAPT (0.66) MAPTDRD4ALDH1A1TSHRKDM4E

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
WO-1998042692-A1 PIPERAZINES DERIVED FROM CYCLIC AMINES, PREPARATION AND APPLICATION THEREOF AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 1998-10-01 WO disclosed