SCHEMBL8906257

SCHEMBL8906257

COCCCOc1cc(C[C@@H](CBr)C(C)C)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.46
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
SIGMAR1 Q99720 2/20 0.41

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
SCHEMBL8906253 1.00 REN (0.46) RENADRA1DADRA1AADRA1BSIGMAR1
SCHEMBL6044140 0.89 REN (0.48) REN
SCHEMBL6045096 0.89 REN (0.48) REN
SCHEMBL8905620 0.87 KDM4E (0.51) RENSIGMAR1
SCHEMBL8905614 0.87 KDM4E (0.51) RENSIGMAR1
SCHEMBL4300111 0.86 REN (0.52) REN
SCHEMBL4300113 0.86 REN (0.52) REN
SCHEMBL20577097 0.84 SIGMAR1 (0.47) RENADRA1DADRA1AADRA1BSIGMAR1
SCHEMBL20482623 0.83 MEN1 (0.48) RENADRA1DADRA1AADRA1B
SCHEMBL13131318 0.79 APP (0.48) ADRA1DADRA1AADRA1B

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
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed