SCHEMBL18508776

SCHEMBL18508776

N=C(C1CNCCO1)N(Cc1cn(Cc2ccccc2)c2ccccc12)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.60
▸ KCNH2 Q12809 2/20 0.42
▸ POLB P06746 1/20 0.40

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
SCHEMBL18508997 0.91 REN (0.55) RENKCNH2
SCHEMBL13131658 0.90 REN (0.74) RENKCNH2
SCHEMBL18508911 0.88 REN (0.57) REN
SCHEMBL18508989 0.86 REN (0.59) REN
SCHEMBL18508969 0.85 REN (0.70) REN
SCHEMBL18508644 0.84 REN (0.83) REN
SCHEMBL13131707 0.83 REN (0.70) RENKCNH2
SCHEMBL13131740 0.83 REN (0.70) RENKCNH2
SCHEMBL18508922 0.82 REN (0.63) REN
SCHEMBL13131739 0.81 REN (0.67) RENKCNH2

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
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 — — EP disclosed
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