SCHEMBL10917658

SCHEMBL10917658

CC(C)N(CCOc1ccc2ccccc2c1)C(=O)NCCN(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ ALOX5 P09917 1/20 0.55
▸ PDGFRB P09619 2/20 0.46
▸ PDGFRA P16234 2/20 0.46
▸ PPARG P37231 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NCOA2 Q15596 1/20 0.45
▸ NCOA1 Q15788 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NR2E3 Q9Y5X4 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45
▸ LSS P48449 1/20 0.44
▸ PPARD Q03181 2/20 0.44
▸ PPARA Q07869 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ RAB9A P51151 2/20 0.43

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 SCHEMBL10923638 0.99 KDM4E (0.59) KDM4EALDH1A1ALOX5PDGFRBPDGFRA
SCHEMBL10923693 0.87 LTA4H (0.51) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL10920900 0.85 HPGD (0.44) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL10920914 0.84 ATM (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10926525 0.83 MEN1 (0.44) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10920784 0.83 KDM4E (0.52) KDM4EALDH1A1PPARGPPARDPPARA
Water SCHEMBL10965634 0.83 ATM (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10923569 0.83 DRD2 (0.51) ALDH1A1MEN1HTTKMT2AACHE
SCHEMBL10923641 0.83 KDM4E (0.61) KDM4EALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL11007885 0.82 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2ALSS

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
EP-0066987-B1 N-(ARYLOXYALKYL)-N'-(AMINO-ALKYL) UREAS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-08-27 — — EP claimed
US-4500529-A ANTIARRHYTHMIA AGENT A. H. ROBINS COMPANY, INCORPORATED (US) 1985-02-19 — — US claimed
EP-0066987-A2 N-(aryloxyalkyl)-N'-(amino-alkyl) ureas A.H. ROBINS COMPANY, INCORPORATED (US) 1982-12-15 — — EP claimed
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