SCHEMBL9681184

SCHEMBL9681184

CN(C)c1ccc(C(=O)C(C)(C)N2CCOCC2)cc1N(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TSHR P16473 2/20 0.57
MAPK1 P28482 2/20 0.57
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9680395 0.89 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HSD17B10
SCHEMBL9679423 0.88 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1HSD17B10
SCHEMBL9681204 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TSHRMAPK1HSD17B10
SCHEMBL9681300 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1HSD17B10
SCHEMBL9679558 0.81 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9681156 0.80 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2TSHRMAPK1HSD17B10
SCHEMBL9679447 0.78 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9679519 0.78 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL4206450 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1HSD17B10
SCHEMBL10940747 0.77 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3

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-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed