SCHEMBL18601901

SCHEMBL18601901

C=C1N(Cc2cccc(C(=O)O)c2)CN(c2ccccc2)C12CCN(CCCc1c[nH]c3ccccc13)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.52
SLC6A4 P31645 2/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
HTR2B P41595 1/20 0.52
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL319303 0.92 MEN1 (0.55) HTR1ASLC6A4DRD2DRD4HTR2A
SCHEMBL10252057 0.86 MEN1 (0.54) HTR1ASLC6A4DRD2DRD4HTR2A
SCHEMBL318522 0.84 MEN1 (0.52) HTR1ASLC6A4DRD2DRD4HTR2A
SCHEMBL18601825 0.81 HTR7 (0.49) SLC6A4DRD2HTR2AHRH1DRD3
SCHEMBL318219 0.77 MEN1 (0.54) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318368 0.75 MEN1 (0.64) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9999009 0.73 MEN1 (0.78) DRD2DRD4HTR2ADRD3MEN1
SCHEMBL319154 0.73 MEN1 (0.56) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318511 0.72 HTR1A (0.51) HTR1ASLC6A4DRD2DRD4HTR2A
SCHEMBL318450 0.71 CYP2D6 (0.70) MEN1TP53CYP1A2CYP3A4CYP2D6

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-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed