SCHEMBL8519604

SCHEMBL8519604

C[As](C)CCCC1c2ccccc2CN1c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.34
HTR2A P28223 2/20 0.33
HRH1 P35367 2/20 0.33
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
RGS12 O14924 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
RECQL P46063 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL6592097 0.83 EED (0.38) EEDHTR2AHRH1MAPTNPSR1
SCHEMBL6587141 0.82 HTR2A (0.50) EEDHTR2AHRH1MAPTLMNA
SCHEMBL6587862 0.80 EED (0.40) EEDHTR2AHRH1MAPTNPSR1
SCHEMBL6586680 0.76 OPRM1 (0.41) EEDHTR2AMAPTNPSR1LMNA
Maleic Acid SCHEMBL8433458 0.74 HRH1 (0.42) HTR2AHRH1LMNAKDM4EMEN1
Fumaric Acid SCHEMBL8433463 0.74 HRH1 (0.42) HTR2AHRH1LMNAKDM4EMEN1
Fumaric Acid SCHEMBL6589530 0.74 SLC6A2 (0.42) HTR2ALMNAKDM4EMEN1KMT2A
Maleic Acid SCHEMBL6589525 0.74 SLC6A2 (0.42) HTR2ALMNAKDM4EMEN1KMT2A
SCHEMBL6591541 0.72 TIPARP (0.43) EEDMAPTNPSR1LMNARGS12
Maleic Acid SCHEMBL6589717 0.71 SLC6A2 (0.39) HTR2AMAPTNPSR1LMNAKDM4E

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
US-5869502-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDER, STUTTERING, TRICHOTILLOMANIA HOECHST MARION ROUSSEL INC. (US) 1999-02-09 US disclosed