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SCHEMBL6663265

SCHEMBL6663265

OC(COc1ccc(F)c(F)c1)CN(c1ncnc2scc(-c3ccc(F)cc3)c12)C1CCNCC1.OC(COc1ccc(F)cc1)CN(c1ncnc2scc(-c3ccccc3)c12)C1CCNCC1.OC(COc1ccc(OC(F)(F)F)cc1)CN(c1ncnc2scc(-c3ccccc3)c12)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.47
▸ ADRB2 P07550 11/20 0.47
▸ ADRB1 P08588 10/20 0.47

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
SCHEMBL6667990 0.92 ADRB3 (0.50) ADRB3ADRB2ADRB1
SCHEMBL6666107 0.90 ADRB3 (0.55) ADRB3ADRB2ADRB1
SCHEMBL6668261 0.86 ADRB3 (0.48) ADRB3ADRB2ADRB1
SCHEMBL6666653 0.85 ADRB3 (0.51) ADRB3ADRB2ADRB1
SCHEMBL6664719 0.85 ADRB3 (0.59) ADRB3ADRB2ADRB1
SCHEMBL6666920 0.84 ADRB3 (0.53) ADRB3ADRB2ADRB1
SCHEMBL6663309 0.84 ADRB3 (0.49) ADRB3ADRB2ADRB1
SCHEMBL6663273 0.83 ADRB3 (0.49) ADRB3ADRB2ADRB1
SCHEMBL6663588 0.83 ADRB3 (0.55) ADRB3ADRB2ADRB1
SCHEMBL6663583 0.83 ADRB3 (0.55) ADRB3ADRB2ADRB1

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
WO-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 — — WO disclosed