SCHEMBL18601798

SCHEMBL18601798

O=C1Cc2ccccc2N1CCCN1CCC2(CC1)C(=O)N(Cc1ccccc1)CN2c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.54
DRD2 P14416 4/20 0.54
DRD3 P35462 3/20 0.54
DRD5 P21918 2/20 0.54
HTR1A P08908 1/20 0.54
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DRD4 P21917 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 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
SCHEMBL320153 0.92 MEN1 (0.55) HTR7DRD2DRD3DRD5HTR1A
SCHEMBL318453 0.90 MEN1 (0.58) HTR7DRD2DRD3DRD5HTR1A
SCHEMBL318473 0.87 MEN1 (0.50) HTR7DRD2DRD3DRD5HTR1A
SCHEMBL318506 0.87 HTR7 (0.48) HTR7DRD2DRD3DRD5HTR1A
SCHEMBL18601782 0.87 HTR7 (0.48) HTR7DRD2DRD3DRD5HTR1A
SCHEMBL320041 0.87 MEN1 (0.49) DRD2DRD3MEN1TP53CYP1A2
SCHEMBL319846 0.85 MEN1 (0.63) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318585 0.85 MEN1 (0.53) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318803 0.82 MEN1 (0.51) DRD2DRD3MEN1TP53CYP1A2
SCHEMBL318770 0.82 HTR7 (0.43) HTR7DRD2DRD3DRD5HTR1A

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