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SCHEMBL6810141

SCHEMBL6810141

O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)c1c2n(c3ccccc13)CCNCC2.O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)c1c2n(c3ccccc13)CCNCC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.59
▸ HTR2C P28335 7/20 0.59
▸ REN P00797 4/20 0.41
▸ BTK Q06187 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.36

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
SCHEMBL6712177 0.96 HTR2A (0.60) HTR2AHTR2CRENMEN1ALDH1A1
SCHEMBL6711890 0.93 HTR2A (0.67) HTR2AHTR2CALDH1A1
SCHEMBL6715343 0.87 HTR2A (0.69) HTR2AHTR2CRENMEN1ALDH1A1
SCHEMBL6715495 0.87 HTR2A (0.60) HTR2AHTR2C
SCHEMBL6718374 0.83 HTR2A (0.64) HTR2AHTR2CMEN1KMT2A
SCHEMBL6713879 0.83 HTR2A (0.64) HTR2AHTR2CMEN1ALDH1A1KMT2A
SCHEMBL6710856 0.82 HTR2A (0.61) HTR2AHTR2CMEN1KMT2A
SCHEMBL6711465 0.82 HTR2A (0.61) HTR2AHTR2C
SCHEMBL6711473 0.81 HTR2A (0.64) HTR2AHTR2CREN
SCHEMBL6714349 0.81 HTR2A (0.60) HTR2AHTR2CMEN1ALDH1A1KMT2A

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-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 — — US claimed