SCHEMBL30002422

SCHEMBL30002422

O=C(O)c1ccccc1NCC1CCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 2/20 0.49
AGTR1 P30556 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HCAR3 P49019 2/20 0.45
FABP4 P15090 1/20 0.45
MEN1 O00255 1/20 0.44
AKR1B10 O60218 1/20 0.44
TRPA1 O75762 1/20 0.44
ABCB11 O95342 1/20 0.44
DHFR P00374 1/20 0.44
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL29668628 1.00 HPGD (0.50) HPGDALDH1A1HSD17B10KDM4EAGTR1
SCHEMBL29668727 0.84 KDM4E (0.65) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL194971 0.81 KDM4C (0.63) HPGDALDH1A1HSD17B10KDM4EAGTR1
SCHEMBL23852182 0.81 ALDH1A1 (0.40) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL1715784 0.81 KDM4C (0.52) HPGDALDH1A1HSD17B10KDM4EAGTR1
SCHEMBL28963497 0.78 KDM4E (0.74) HPGDALDH1A1HSD17B10KDM4EMEN1
SCHEMBL29668581 0.77 HCAR3 (0.46) HPGDALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL11503155 0.77 KDM4C (0.66) HPGDALDH1A1HSD17B10KDM4EAGTR1
SCHEMBL29149719 0.75 HCAR3 (0.57) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL29149715 0.75 HCAR3 (0.57) HPGDALDH1A1HSD17B10KDM4ERAB9A

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-4073051-A1 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF OXETAN-2-YLMETHANAMINE Eli Lilly and Company (US) 2022-10-19 EP disclosed