SCHEMBL18601909

SCHEMBL18601909

CCCCN1CCC2(CC1)C(=O)N(c1cccc(C(=O)OC)c1)CN2c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
HTR2A P28223 1/20 0.50
DRD3 P35462 1/20 0.50
HTR7 P34969 1/20 0.48
GRM2 Q14416 1/20 0.46
OPRL1 P41146 4/20 0.46
OPRM1 P35372 3/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL318826 0.91 DRD2 (0.62) DRD2DRD4HTR2ADRD3HTR7
SCHEMBL319163 0.81 OPRM1 (0.51) GRM2OPRL1OPRM1CYP2D6TP53
SCHEMBL318743 0.80 DRD2 (0.65) DRD2DRD4HTR2ADRD3HTR7
SCHEMBL320115 0.80 OPRK1 (0.50) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL318732 0.77 MEN1 (0.53) HTR7MEN1CYP3A4CYP2D6KMT2A
SCHEMBL318729 0.76 MEN1 (0.54) OPRL1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL318896 0.75 MEN1 (0.53) HTR7OPRL1MEN1CYP3A4CYP2D6
SCHEMBL318926 0.74 MEN1 (0.52) HTR7MEN1CYP3A4CYP2D6KMT2A
SCHEMBL319008 0.74 MEN1 (0.81) DRD2DRD4HTR2ADRD3MEN1
SCHEMBL7760221 0.73 MEN1 (0.75) DRD2DRD3OPRL1OPRM1OPRD1

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