SCHEMBL19445539

SCHEMBL19445539

CC(C)C(=O)c1cc(C(=O)NCCN(C)C)c(OCCCCCN)cc1OCCCCN

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CHEK2 O96017 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ CHEK1 O14757 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL13351617 0.99 HTT (0.40) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL10198852 0.92 MTNR1A (0.46) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL12444102 0.88 MTNR1A (0.43) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL12515465 0.88 MTNR1A (0.43) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL11947670 0.86 MTNR1A (0.39) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL14295932 0.86 MTNR1A (0.39) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL21864682 0.86 MTNR1A (0.39) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL85885 0.86 MTNR1A (0.39) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL16284392 0.86 MTNR1A (0.39) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1
SCHEMBL19445567 0.86 MTNR1A (0.41) MTNR1AMTNR1BHTTSMN1; SMN2ALDH1A1

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
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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