SCHEMBL15538190

SCHEMBL15538190

c1ccc(-c2cccc(N3CCN(c4cccc(-c5ccccc5)c4)CC3)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.75
▸ HTR1A P08908 2/20 0.75
▸ USP2 O75604 10/20 0.62
▸ HSD17B10 Q99714 10/20 0.62
▸ ALDH1A1 P00352 8/20 0.62
▸ CYP1A2 P05177 7/20 0.62
▸ MAPK1 P28482 5/20 0.62
▸ CYP2D6 P10635 5/20 0.62
▸ CYP3A4 P08684 4/20 0.62
▸ TP53 P04637 3/20 0.62
▸ TSHR P16473 1/20 0.62
▸ DHFR P00374 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HPGD P15428 4/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ HIF1A Q16665 2/20 0.54
▸ FAAH O00519 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ PKM P14618 1/20 0.52

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
SCHEMBL27497441 0.91 HTR1A (0.70) HTR7HTR1AUSP2HSD17B10ALDH1A1
SCHEMBL30108214 0.90 HTR1A (0.64) HTR7HTR1AUSP2HSD17B10ALDH1A1
SCHEMBL7610501 0.87 HTR7 (0.60) HTR7HTR1AUSP2HSD17B10ALDH1A1
SCHEMBL23071563 0.86 HTR1A (0.63) HTR7HTR1AUSP2HSD17B10ALDH1A1
SCHEMBL11210288 0.86 LMNA (0.68) HTR7HTR1AUSP2HSD17B10ALDH1A1
SCHEMBL30022113 0.86 HTR7 (1.00) HTR7HTR1AUSP2HSD17B10ALDH1A1
SCHEMBL1914606 0.86 HTR7 (1.00) HTR7HTR1AUSP2HSD17B10ALDH1A1
SCHEMBL7498216 0.86 ADRB1 (0.61) HTR7HTR1AUSP2HSD17B10ALDH1A1
SCHEMBL5238969 0.86 USP2 (0.59) HTR7HTR1AUSP2HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL6786785 0.85 HTR7 (0.96) HTR7HTR1AUSP2HSD17B10ALDH1A1

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
EP-2897632-A2 COMPOUNDS MODULATING ASTROCYTIC RELEASE OF SUBSTANCES THROUGH CONNEXINS AND PANNEXINS AND TREATMENT OF PSYCHIATRIC DISORDERS Universidad Andres Bello (CL) 2015-07-29 — — EP claimed
WO-2013179264-A2 USE OF COMPOUNDS THAT SELECTIVELY MODULATE ASTROCYTIC RELEASE OF SUBSTANCES THROUGH HEMICHANNELS OF CONNEXINS AND PANNEXINS, WITHOUT INFLUENCING GAP JUNCTIONS, FOR THE TREATMENT OF PSYCHIATRIC DISORDERS UNIVERSIDAD ANDRES BELLO (CL) 2013-12-05 — — WO claimed
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