SCHEMBL21477155

SCHEMBL21477155

CCCCN1CCN(CCOCCCCCOC(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 3/20 0.40
▸ GNAO1 P09471 3/20 0.40
▸ GNAI1 P63096 3/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ HRH2 P25021 3/20 0.36
▸ HRH1 P35367 3/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ THRB P10828 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRA P10827 1/20 0.35

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
SCHEMBL20230942 0.91 GNAI3 (0.47) GNAI3GNAO1GNAI1LTA4HHRH2
SCHEMBL22851654 0.91 GNAI3 (0.47) GNAI3GNAO1GNAI1LTA4HHRH2
SCHEMBL29343604 0.84 HRH2 (0.34) LTA4HHRH2HRH1HRH3HTT
SCHEMBL6553947 0.84 GNAI3 (0.53) GNAI3GNAO1GNAI1LTA4HTHRB
SCHEMBL20328705 0.83 ALDH1A1 (0.42) HRH3MEN1KMT2A
SCHEMBL21421563 0.82 GNAI3 (0.48) GNAI3GNAO1GNAI1LTA4H
Bromide SCHEMBL28255534 0.82 GNAI3 (0.52) GNAI3GNAO1GNAI1LTA4HTHRB
SCHEMBL22520691 0.81 KDM4E (0.40) GNAI3GNAO1GNAI1HRH3
SCHEMBL29323634 0.81 HRH1 (0.36) HRH2HRH1HRH3MEN1KMT2A
SCHEMBL26744659 0.81 HRH2 (0.36) HRH2HRH1MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097251-A1 OLIGONUCLEOTIDE-CONTAINING TRANSCRIPTION FACTOR TARGETING CHIMERAS YALE UNIVERSITY (US) 2023-06-01 — — WO disclosed
WO-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 — — WO disclosed
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