SCHEMBL9485199

SCHEMBL9485199

CCOC(=O)c1ccc2[nH]nc(CCN(C)C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.50
▸ KDM4E B2RXH2 6/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HSD17B10 Q99714 5/20 0.48
▸ MAPK1 P28482 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ POLB P06746 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ HTR1F P30939 1/20 0.45

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
SCHEMBL9485928 0.85 HCRTR1 (0.52) HCRTR1KDM4EALDH1A1KMT2AMAPT
Oxalic Acid SCHEMBL9484406 0.82 HCRTR1 (0.49) HCRTR1KDM4EALDH1A1KMT2AMAPT
SCHEMBL9485102 0.79 HCRTR1 (0.44) HCRTR1KDM4EALDH1A1KMT2AMAPT
SCHEMBL11749690 0.78 HCRTR1 (0.58) HCRTR1KDM4EALDH1A1KMT2AMAPT
SCHEMBL29925789 0.77 HCRTR1 (0.57) HCRTR1KDM4EALDH1A1KMT2AMAPT
SCHEMBL17514133 0.77 HCRTR1 (0.57) HCRTR1KDM4EALDH1A1KMT2AMAPT
SCHEMBL8684224 0.77 KDM4E (0.58) HCRTR1KDM4EALDH1A1KMT2AMAPT
SCHEMBL8785079 0.77 HTR1D (0.62) ALDH1A1KMT2AMEN1HSD17B10HPGD
SCHEMBL6753577 0.77 MAP2K4 (0.43) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL4901043 0.76 MEN1 (0.57) KDM4EALDH1A1KMT2AMEN1RAB9A

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
US-5208248-A Hydroxytryptamine Receptor Agonists MERCK SHARPE & DOHME, LTD. (GB) 1993-05-04 — — US disclosed
EP-0494774-A1 Indazole-substituted fivemembered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1992-07-15 — — EP disclosed
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