SCHEMBL8722375

SCHEMBL8722375

Cc1cccc(N2CCN(CC(=O)CCCCCCOc3ccccc3N3CCN(C)CC3)CC2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.49
ABCB1 P08183 5/20 0.49
HTR1A P08908 5/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR2A P28223 3/20 0.47
HTR7 P34969 2/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 1/20 0.47
AVPR2 P30518 1/20 0.47
AVPR1A P37288 1/20 0.47
REV1 Q9UBZ9 1/20 0.46

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
SCHEMBL8719239 0.89 KDM4E (0.62) KMT2AALDH1A1MAPTMEN1HTR1A
SCHEMBL8722372 0.88 KDM4E (0.63) KMT2AALDH1A1MEN1HTR1AKDM4E
SCHEMBL8901810 0.87 MAPT (0.67) KMT2AALDH1A1NPC1MAPTTSHR
SCHEMBL8722760 0.87 MAPT (0.67) KMT2AALDH1A1NPC1MAPTTSHR
SCHEMBL8719441 0.86 HTR1A (0.64) KMT2AALDH1A1MEN1HTR1AKDM4E
SCHEMBL8719497 0.86 HTR1A (0.64) KMT2AALDH1A1MEN1HTR1AKDM4E
SCHEMBL8719240 0.83 HTR2A (0.55) KMT2AALDH1A1MEN1HTR1AKDM4E
SCHEMBL8916658 0.82 MAPT (0.73) KMT2AALDH1A1NPC1MAPTTSHR
SCHEMBL8893026 0.79 ALDH1A1 (0.56) KMT2AALDH1A1MEN1HTR1AKDM4E
SCHEMBL8894896 0.78 ALDH1A1 (0.57) KMT2AALDH1A1MEN1HTR1AKDM4E

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