SCHEMBL20207089

SCHEMBL20207089

COc1cccc2c1NCC(C)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR5A P47898 3/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ HTR1D P28221 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ HTR2B P41595 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MASP2 O00187 1/20 0.36
▸ GAPDH P04406 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSPA1A P0DMV8 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HSPA8 P11142 1/20 0.36
▸ JUND P17535 1/20 0.36
▸ TNNI3 P19429 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
SCHEMBL20206922 1.00 HTR5A (0.37) HTR5AHTR1AHTR1DHTR2CHTR7
SCHEMBL21325331 0.80 KDM4E (0.35) HTR5AHTR1AHTR1DHTR2CHTR7
SCHEMBL21324838 0.80 HTR2B (0.37) HTR5AHTR1AHTR1DHTR2CHTR7
SCHEMBL19068822 0.74 BRD4 (0.33) —
SCHEMBL20341633 0.73 BRD4 (0.33) —
SCHEMBL20206729 0.70 CTNNB1 (0.40) HTR5AALDH1A1HSD17B10MAPT
SCHEMBL14483912 0.69 DRD2 (0.46) HTR5AHTR1AACHE
SCHEMBL13998649 0.69 ADRA1D (0.50) HTR1AHTR7KDM4EALDH1A1HPGD
SCHEMBL517074 0.68 BRD4 (0.54) HTR1AHPGD
SCHEMBL19392968 0.68 BRD4 (0.54) HTR1AHPGD

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-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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