SCHEMBL31744487

SCHEMBL31744487

CCOP(=O)(CCCCN1c2ccc(Br)cc2[Se]c2cc(Br)ccc21)OCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL31744501 0.86 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31744486 0.83 KMT2A (0.40) ALDH1A1MEN1KMT2A
SCHEMBL27236432 0.74 DRD2 (0.46) DRD2HTR2AHTR7HTR6
SCHEMBL29947117 0.74 DRD2 (0.46) DRD2HTR2AHTR7HTR6
SCHEMBL31609235 0.74 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31250783 0.74 PSEN1 (0.48) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL30972550 0.72 PSEN1 (0.49) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL30972540 0.72 PSEN1 (0.48) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL30972539 0.71 PSEN1 (0.45) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL17019828 0.68

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
US-20250386724-A1 POLYMER HOLE-TRANSPORTING MATERIALS AND APPLICATION THEREOF UNIV HONG KONG SCIENCE & TECH (CN) 2025-12-18 US disclosed