SCHEMBL19002979

SCHEMBL19002979

CC1(C)CB(c2ccc(=O)n(C3CC3)c2)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 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
SCHEMBL16465375 0.80 LPL (0.39) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL19002971 0.76 BMPR1A (0.37) BMPR1AACVRL1ACVR1
SCHEMBL19003060 0.76 LPL (0.31)
SCHEMBL22655333 0.75 LPL (0.37) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL505933 0.75 LPL (0.37) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL14730026 0.73 LPL (0.36)
SCHEMBL21722599 0.69 LPL (0.37)
SCHEMBL29066212 0.68 BMPR1B (0.32) BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL505907 0.68 MAP4K1 (0.35)
SCHEMBL20217141 0.68 AR (0.37)

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-2906539-B1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES HIVIH (FR) 2017-06-21 EP disclosed