SCHEMBL7641059

SCHEMBL7641059

O=C(O)CN(CCO)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.42
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HTR7 P34969 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CD274 Q9NZQ7 3/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ SRD5A2 P31213 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ AKR1B1 P15121 1/20 0.30
▸ PTGER1 P34995 1/20 0.30
▸ PTGER4 P35408 1/20 0.30
▸ PTGER3 P43115 1/20 0.30
▸ PTGER2 P43116 1/20 0.30

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 SCHEMBL8854105 0.89 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL31634803 0.83 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8854133 0.82 NQO2 (0.39) PNMTNPC1RAB9ADRD2
SCHEMBL7641055 0.79 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27912684 0.79 PNMT (0.39) PNMTNPC1RAB9ACCR6PAX8
SCHEMBL29004324 0.78 CD274 (0.48) PNMTCD274ALDH1A1
SCHEMBL1622969 0.78 PNMT (0.40) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1830400 0.78 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1830397 0.76 PNMT (0.57) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL4059193 0.76 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465650-B1 INTERMEDIATE STEPS IN PREPARING PEPTIDE NUCLEIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-15 — — US disclosed
US-6075143-A USEFUL FOR FORMING PEPTIDE NUCLEIC ACIDS OR HYBRID OF PEPTIDE NUCLEIC ACIDS AND DEOXYNUCLEIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-13 — — US disclosed
EP-0672661-A1 Substituted N-ethyl-glycinderivatives for the preparation of PNA and PNA-/DNA hybrides HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 — — EP disclosed
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