SCHEMBL5780851

SCHEMBL5780851

Fc1ccccc1COCCCOc1ccc(C2[CH]CNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.46
▸ KDM1A O60341 2/20 0.46
▸ MAOA P21397 2/20 0.46
▸ REN P00797 8/20 0.46
▸ KCNH2 Q12809 6/20 0.44
▸ SCN3A Q9NY46 5/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ SCN4A P35499 1/20 0.44
▸ SCN7A Q01118 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN8A Q9UQD0 1/20 0.44
▸ SCN10A Q9Y5Y9 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 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
SCHEMBL8499192 0.79 SLC6A2 (0.54) MAOBKDM1AMAOARENKCNH2
SCHEMBL5778534 0.78 REN (0.49) MAOBKDM1AMAOARENKCNH2
SCHEMBL27487854 0.74 MAOB (0.54) MAOBKDM1AMAOAKCNH2CYP1A2
SCHEMBL5778530 0.74 SCN3A (0.51) MAOBRENKCNH2SCN3ASCN1A
SCHEMBL6952031 0.72 REN (0.70) REN
Hydrochloric Acid SCHEMBL6042552 0.72 REN (0.69) REN
SCHEMBL27666197 0.71 MAOA (0.48) MAOBMAOA
SCHEMBL6043734 0.71 REN (0.79) REN
SCHEMBL8284788 0.70 SLC6A2 (0.46) RENSLC6A2SLC6A4SLC6A3
SCHEMBL8284015 0.70 SLC6A2 (0.48) MAOBKDM1AMAOARENKCNH2

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
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 — — EP disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 — — WO disclosed
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