SCHEMBL29169381

SCHEMBL29169381

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NC3CCC3)nc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ USP30 Q70CQ3 2/20 0.53
▸ LMNA P02545 3/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ GPR119 Q8TDV5 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46

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
SCHEMBL25738505 0.96 MAPT (0.60) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL30385538 0.96 MAPT (0.60) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL30604697 0.91 SMN1; SMN2 (0.58) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL29085169 0.91 SMN1; SMN2 (0.58) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL29085189 0.89 SMN1; SMN2 (0.57) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL29085201 0.89 SMN1; SMN2 (0.57) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL29085218 0.87 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL30604692 0.87 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL29085193 0.87 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL29085192 0.87 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2TSHR

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
CN-115919859-B Pharmaceutical composition of heteroaryl derivative and application of pharmaceutical composition in medicine 四川海思科制药有限公司 2024-01-05 — — CN disclosed
CN-115919859-A Pharmaceutical composition of heteroaryl derivative and application thereof in medicine 四川海思科制药有限公司 2023-04-07 — — CN disclosed
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