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Methylatropine

Methylatropine

SCHEMBL30003811

C[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ CHRM2 P08172 6/20 0.89
▸ BLM P54132 4/20 0.87
▸ PABPC1 P11940 1/20 0.87
▸ CYP2C19 P33261 1/20 0.77
▸ CHRM5 P08912 5/20 0.72
▸ CHRM1 P11229 5/20 0.72
▸ CHRM3 P20309 5/20 0.72
▸ CHRM4 P08173 4/20 0.72
▸ MEN1 O00255 3/20 0.72
▸ KMT2A Q03164 3/20 0.72
▸ TSHR P16473 2/20 0.72
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ KDM4E B2RXH2 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ ADRA2C P18825 1/20 0.64

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
Methylatropine SCHEMBL56394 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL20798247 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL34463463 0.94 CHRM2 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL824874 0.94 CHRM2 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL29389879 0.93 PABPC1 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL30647266 0.93 BLM (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL1321572 0.93 BLM (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Atropine Oxide SCHEMBL98985 0.87 CYP2C19 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Atropine Oxide SCHEMBL29369999 0.87 CYP2C19 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Atropine Oxide SCHEMBL162929 0.87 CYP2C19 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19

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
US-20220334101-A1 MODULATING EXTRACELLULAR MATRIX MOVEMENT HELMHOLTZ ZENTRUM MUENCHEN - DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT (GMBH) (DE) 2022-10-20 — — US disclosed