SCHEMBL5789683

SCHEMBL5789683

O=C1CCC(Br)C12CCCCC2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.30

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
SCHEMBL11807732 0.67 CA1 (0.32)
SCHEMBL23098591 0.64 CA1 (0.33) CYP19A1
SCHEMBL9053292 0.62 MEN1 (0.32) CYP19A1
SCHEMBL9052184 0.62 MEN1 (0.32) CYP19A1
SCHEMBL6132202 0.62
SCHEMBL13979324 0.60 CYP19A1 (0.51) CYP19A1
SCHEMBL3534408 0.59
SCHEMBL2015391 0.59 ALDH1A1 (0.35)
SCHEMBL2015392 0.59 ALDH1A1 (0.35)
SCHEMBL7290529 0.57 ALDH1A1 (0.34)

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-1628978-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF Zealand Pharma A/S (DK) 2006-03-01 EP disclosed
WO-2004104004-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF ZEALAND PHARMA A/S (DK) 2004-12-02 WO disclosed