SCHEMBL5721027

SCHEMBL5721027

[CH](CN1CCOCC1)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 4/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KEAP1 Q14145 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5454740 0.89 HRH3 (0.36) HRH3KDM4ETSHRHSD17B10USP2
SCHEMBL28399535 0.89 USP2 (0.39) HRH3KDM4ETSHRHSD17B10ALOX15
SCHEMBL5233749 0.84 CHRNB2 (0.41) HRH3HSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL5466976 0.84 CHRNB2 (0.41) HRH3HSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL28465611 0.77 HRH3 (0.33) HRH3
SCHEMBL28988542 0.76
SCHEMBL20853432 0.75 SIGMAR1 (0.33) KDM4ETSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL4042388 0.75 HRH3 (0.42) HRH3KDM4ETSHRHSD17B10ALOX15
SCHEMBL165786 0.72
SCHEMBL6780002 0.71 MC4R (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960080-A Polycyclic compound and application thereof as ghrelin receptor agonist 南京知和医药科技有限公司 2023-04-14 CN disclosed
EP-1670786-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-21 EP disclosed
WO-2005030757-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-04-07 WO disclosed