SCHEMBL9545540

SCHEMBL9545540

Nc1ccc(N2CCN(CCCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.66
KDM4E B2RXH2 1/20 0.66
LMNA P02545 1/20 0.66
HTR1A P08908 14/20 0.58
DRD2 P14416 13/20 0.58
HTR2A P28223 12/20 0.58
HTR6 P50406 12/20 0.58
HTR7 P34969 12/20 0.58
DRD3 P35462 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48

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 SCHEMBL9361660 0.90 HTR1A (0.60) MAPK1KDM4ELMNAHTR1ADRD2
SCHEMBL9362201 0.89 HTR1A (0.61) HTR1ADRD2HTR2AHTR6HTR7
Hydrochloric Acid SCHEMBL9365612 0.88 HTR1A (0.60) HTR1ADRD2HTR2AHTR6HTR7
Hydrochloric Acid SCHEMBL9545427 0.87 HTR1A (0.61) HTR1ADRD2HTR2AHTR6HTR7
Acetic Acid SCHEMBL9361625 0.83 HTR1A (0.57) HTR1ADRD2HTR2AHTR6HTR7
Acetic Acid SCHEMBL9362577 0.83 HTR1A (0.58) HTR1ADRD2HTR2AHTR6HTR7
Acetic Acid SCHEMBL9362124 0.83 HTR1A (0.58) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11838631 0.82 HTR1A (0.57) MAPK1KDM4ELMNAHTR1ADRD2
Hydrochloric Acid SCHEMBL9545456 0.80 HTR1A (0.49) HTR1ADRD2HTR2AHTR6HTR7
SCHEMBL11843159 0.79 HTR1A (0.80) MAPK1KDM4ELMNAHTR1ADRD2

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-1993021179-A1 NOVEL AMIDOALKYL- AND IMIDOALKYL-PIPERAZINES AKTIEBOLAGET ASTRA (SE) 1993-10-28 WO disclosed