SCHEMBL11330799

SCHEMBL11330799

CCOC(=O)NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.58
HTR2C P28335 1/20 0.58
SLC6A4 P31645 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 2/20 0.53
TP53 P04637 1/20 0.52
DRD3 P35462 2/20 0.51
SIGMAR1 Q99720 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
HTR7 P34969 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
DRD2 P14416 1/20 0.51

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
SCHEMBL6004573 0.86 ALDH1A1 (0.62) HTR2AHTR2CSLC6A4ALDH1A1MAPT
SCHEMBL11289198 0.85 MAPT (0.59) HTR2AHTR2CSLC6A4ALDH1A1MAPT
SCHEMBL11282901 0.84 ALDH1A1 (0.56) HTR2AALDH1A1MAPTKDM4ELMNA
SCHEMBL10763370 0.82 HTR7 (0.61) HTR2AHTR2CSLC6A4ALDH1A1DRD3
Hydrochloric Acid SCHEMBL11275337 0.82 LMNA (0.52) HTR2AALDH1A1MAPTKDM4ELMNA
SCHEMBL11284949 0.81 POLB (0.59) HTR2AHTR2CALDH1A1MAPTKDM4E
SCHEMBL10762915 0.79 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ELMNAPOLB
SCHEMBL2111769 0.79 SIGMAR1 (0.67) ALDH1A1MAPTKDM4ELMNAPOLB
SCHEMBL11199556 0.78 ALDH1A1 (0.56) HTR2AALDH1A1MAPTKDM4ELMNA
SCHEMBL11278842 0.78 SIGMAR1 (0.62) ALDH1A1MAPTKDM4ELMNAPOLB

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-0048044-A1 Phenyl piperazine derivatives having antiagressive activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-03-24 EP claimed