SCHEMBL11110282

SCHEMBL11110282

O=CN1CCN(c2nc(N3CCCCC3)nc3c2SCCC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ GBA1 P04062 5/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HRH1 P35367 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ NPY5R Q15761 1/20 0.30

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
SCHEMBL11104294 0.99 ALDH1A1 (0.38) ALDH1A1GBA1L3MBTL1GLATSHR
SCHEMBL11103525 0.89 ALDH1A1 (0.40) ALDH1A1GLATSHRGAAHPGD
SCHEMBL11101954 0.82 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL11111857 0.82 HTR2A (0.46) ALDH1A1GBA1HTR2AHRH1HRH4
SCHEMBL11107790 0.80 SMN1; SMN2 (0.30) NPY5R
SCHEMBL11106652 0.79 HRH1 (0.51) ALDH1A1L3MBTL1GLATSHRHSD17B10
SCHEMBL11104195 0.79 HRH1 (0.51) ALDH1A1L3MBTL1GLATSHRHSD17B10
SCHEMBL11109506 0.79 HTR1A (0.32) —
Maleic Acid SCHEMBL11102533 0.78 HTR2A (0.39) ALDH1A1GBA1KDM4EHTR2AMAPK1
Fumaric Acid SCHEMBL11109417 0.78 HTR2A (0.39) ALDH1A1GBA1KDM4EHTR2AMAPK1

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-4435566-A HYPOGLYCEMIA, ANTIHISTAMINE, ANTIDIABETIC ACTIVITY MARUKO SEIYAKU CO., LTD. (JP) 1984-03-06 — — US disclosed
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