SCHEMBL28771680

SCHEMBL28771680

COCN1CCC(C(C)C(=O)Nc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTR1E P28566 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ S1PR3 Q99500 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ KLK7 P49862 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ BCHE P06276 3/20 0.43
▸ CARM1 Q86X55 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ DRD2 P14416 1/20 0.42

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
Hydrochloric Acid SCHEMBL7810311 0.82 KMT2A (0.58) KMT2ABCHEALDH1A1DRD2
SCHEMBL4124529 0.81 EPHX2 (0.61) TSHRMEN1LMNAMAPTHTR1E
SCHEMBL29582859 0.74 EPHX2 (0.50) TSHRMEN1LMNAMAPTHTR1E
SCHEMBL27808771 0.70 KMT2A (0.46) MEN1LMNAKMT2APKMALDH1A1
SCHEMBL6453672 0.68 TSHR (0.57) TSHRMEN1LMNAMAPTHTR1E
SCHEMBL29778725 0.68 SCN4A (0.51) TSHRLMNAMAPT
SCHEMBL23077875 0.68 DCUN1D1 (0.73) MEN1LMNAMAPTKMT2AALDH1A1
SCHEMBL25665611 0.67 IDO1 (0.42) MEN1LMNAMAPTHTR1EKMT2A
SCHEMBL8362502 0.66 CCR3 (0.65) MEN1KMT2ACARM1PRMT6ALDH1A1
SCHEMBL20148033 0.66 CARM1 (0.71) MEN1MAPTKMT2APKMCARM1

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
CN-114671863-A Deuterated sufentanil derivative and pharmaceutical composition containing same 三峡大学 2022-06-28 — — CN disclosed
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