SCHEMBL29360265

SCHEMBL29360265

Oc1ccc2c(c1)CNCC2c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 12/20 0.68
DRD2 P14416 8/20 0.68
CYP3A4 P08684 2/20 0.66
MEN1 O00255 1/20 0.66
CYP2D6 P10635 1/20 0.66
KMT2A Q03164 1/20 0.66
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
DRD5 P21918 2/20 0.51
MAPT P10636 2/20 0.51
ADCY6 O43306 1/20 0.51
ADCY3 O60266 1/20 0.51
ADCY9 O60503 1/20 0.51
ADCY5 O95622 1/20 0.51
ADCY8 P40145 1/20 0.51
ADCY7 P51828 1/20 0.51
ADCY2 Q08462 1/20 0.51
ADCY1 Q08828 1/20 0.51
ADCY4 Q8NFM4 1/20 0.51
CYP2C9 P11712 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
SCHEMBL22445614 1.00 DRD1 (0.68) DRD1DRD2CYP3A4MEN1CYP2D6
SCHEMBL22461447 0.81 CYP3A4 (0.66) DRD1DRD2CYP3A4MEN1CYP2D6
SCHEMBL6010798 0.81 CYP3A4 (0.66) DRD1DRD2CYP3A4MEN1CYP2D6
Bromide SCHEMBL8905619 0.81 PARP1 (0.60) DRD1DRD2CYP3A4MEN1CYP2D6
SCHEMBL11799212 0.81 SLC6A2 (0.60) DRD1DRD2
SCHEMBL15096889 0.80 CYP3A4 (1.00) DRD1DRD2CYP3A4MEN1CYP2D6
SCHEMBL1076323 0.80 CYP3A4 (1.00) DRD1DRD2CYP3A4MEN1CYP2D6
Hydrochloric Acid SCHEMBL11803408 0.80 SLC6A2 (0.59) DRD1DRD2
SCHEMBL11639387 0.78 MEN1 (0.60) DRD1DRD2CYP3A4MEN1CYP2D6
SCHEMBL29356733 0.78 MEN1 (0.60) DRD1DRD2CYP3A4MEN1CYP2D6

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-3941905-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2022-01-26 EP disclosed