SCHEMBL30729367

SCHEMBL30729367

c1cnc(C2COC3(CCNCC3)O2)nc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 5/20 0.37
HPGD P15428 3/20 0.37
CYP2D6 P10635 4/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.36
CYP1A2 P05177 3/20 0.33
USP2 O75604 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL14637316 0.77 TSHR (0.42) HTR1AADRA1DADRA1AADRA1BTSHR
SCHEMBL30501965 0.76 CHRNB2 (0.43) HTR1AADRA1DADRA1AADRA1BCYP2D6
SCHEMBL7097955 0.75 HTR1A (0.33) HTR1AADRA1DADRA1AADRA1B
SCHEMBL30361752 0.72 TACR1 (0.38) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL25190079 0.72 TACR1 (0.38) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL31466275 0.70 HTR1A (0.33) HTR1AADRA1DADRA1AADRA1B
SCHEMBL30888753 0.66 KDM1A (0.38)
SCHEMBL31253014 0.65 HTR1A (0.39) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL1768148 0.65 HTR1A (0.34) HTR1AADRA1DADRA1AADRA1B
SCHEMBL2489261 0.65 HTR1A (0.34) HTR1AADRA1DADRA1AADRA1B

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-2024015406-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-01-18 WO disclosed