SCHEMBL9225840

SCHEMBL9225840

CC1(C)OCO[C@H]1C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@](N)(Cc1c[nH]cn1)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.40
PYGL P06737 1/20 0.33
CCR1 P32246 1/20 0.33
AKR1C3 P42330 1/20 0.33
F2R P25116 1/20 0.32

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
SCHEMBL9225836 0.84 REN (0.55) RENF2R
SCHEMBL9231039 0.83 REN (0.36) REN
SCHEMBL8684049 0.82 REN (0.32) RENCCR1
SCHEMBL9229683 0.78 REN (0.42) REN
SCHEMBL9225842 0.77 REN (0.42) REN
SCHEMBL9229996 0.76 REN (0.35) RENCCR1
SCHEMBL9222943 0.73 REN (0.39) REN
SCHEMBL9231036 0.73 REN (0.46) REN
SCHEMBL9229301 0.71 REN (0.40) REN
SCHEMBL9229678 0.70 REN (0.51) REN

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-0656356-A1 DIOXACYCLOALKANE COMPOUND WITH RENIN-INHIBITING ACTIVITY JAPAN TOBACCO INC. (JP) 1995-06-07 EP claimed
EP-0656356-A1 DIOXACYCLOALKANE COMPOUND WITH RENIN-INHIBITING ACTIVITY JAPAN TOBACCO INC. (JP) 1995-06-07 EP disclosed