SCHEMBL22796404

SCHEMBL22796404

O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc3ccccc3n3cccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.56
HTR3B O95264 4/20 0.56
HTR3A P46098 4/20 0.56
HTR3D Q70Z44 4/20 0.56
HTR3C Q8WXA8 4/20 0.56
HTR2C P28335 4/20 0.56
HTR1A P08908 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HTR1D P28221 2/20 0.56
TP53 P04637 2/20 0.56
TSHR P16473 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56

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
SCHEMBL22796402 0.86 TP53 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15566511 0.76 GPR6 (0.72)
SCHEMBL8567807 0.76 HTR2C (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22796306 0.75 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8567429 0.73 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29390362 0.72 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1660466 0.72 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8569563 0.72 HTR3E (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22796308 0.72 LMNA (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31520482 0.71 TSHR (0.60) KDM4ETSHRMEN1KMT2ALMNA

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-2020252195-A1 TELOMERASE REVERSE TRANSCRIPTASE DEGRADERS AND METHODS OF USE THEREOF THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2020-12-17 WO disclosed