SCHEMBL21859178

SCHEMBL21859178

COc1cccc(-c2ccc3c(c2)CCCN3C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.54
SIGMAR1 Q99720 3/20 0.54
CYP11B1 P15538 5/20 0.52
CYP11B2 P19099 5/20 0.52
HSD17B3 P37058 1/20 0.48
DRD4 P21917 3/20 0.47
HTR1A P08908 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A3 Q01959 2/20 0.47
DRD3 P35462 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL2616321 0.84 HSD17B10 (0.60) DRD4DRD3ALDH1A1MEN1GAA
SCHEMBL2616306 0.79 HSD17B10 (0.55) DRD4HTR2CHTR2BDRD3ALDH1A1
SCHEMBL17809643 0.76 CHRNA7 (0.46) CYP11B1CYP11B2ALDH1A1MEN1GAA
SCHEMBL17809552 0.76 USP30 (0.47) CYP11B1CYP11B2ALDH1A1MEN1GAA
SCHEMBL17809579 0.75 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2
SCHEMBL24316050 0.74 DRD1 (0.55) DRD4HTR2CHTR2BDRD3ALDH1A1
SCHEMBL2625807 0.74 NOTUM (0.59) DRD4HTR2CHTR2BDRD3MEN1
SCHEMBL17809574 0.74 ALDH1A1 (0.51) CYP11B1CYP11B2ALDH1A1MEN1GAA
SCHEMBL17809611 0.72 MEN1 (0.50) CYP11B1CYP11B2ALDH1A1MEN1GAA
SCHEMBL28281659 0.72 CYP11B2 (0.51) CYP11B1CYP11B2HSD17B3HTR2CWDR5

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
WO-2020068304-A2 INHIBITORS OF RNA-GUIDED NUCLEASE TARGET BINDING AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2020-04-02 WO disclosed