SCHEMBL20230942

SCHEMBL20230942

CCCCN1CCN(CCCCCOC(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 4/20 0.47
▸ GNAO1 P09471 4/20 0.47
▸ GNAI1 P63096 4/20 0.47
▸ LTA4H P09960 1/20 0.39
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL22851654 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1LTA4HHRH2
SCHEMBL21477155 0.91 GNAI3 (0.40) GNAI3GNAO1GNAI1LTA4HHRH2
SCHEMBL22520691 0.89 KDM4E (0.40) GNAI3GNAO1GNAI1KDM4E
SCHEMBL22520687 0.87 ALDH1A1 (0.46) GNAI3GNAO1GNAI1KDM4ETHRA
SCHEMBL29325698 0.87 ALDH1A1 (0.46) GNAI3GNAO1GNAI1KDM4ETHRA
SCHEMBL21421563 0.87 GNAI3 (0.48) GNAI3GNAO1GNAI1LTA4HKDM4E
SCHEMBL12228112 0.85 ALDH1A1 (0.47) KDM4E
SCHEMBL26741730 0.84 MEN1 (0.41) HRH2HRH1
SCHEMBL22520630 0.84 MAOB (0.47) GNAI3GNAO1GNAI1
SCHEMBL26712202 0.84 MAOB (0.47) GNAI3GNAO1GNAI1

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
EP-3689868-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas Operations, Inc. (US) 2020-08-05 — — EP disclosed
WO-2018102725-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-06-07 — — WO disclosed
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