SCHEMBL3634714

SCHEMBL3634714

CC(OC(=O)CCOc1ccccc1N(C)C(=O)c1ccc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)c1)OC(=O)OC1(I)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 0.32
CHRM4 P08173 1/20 0.31
RORA P35398 1/20 0.30
RORC P51449 1/20 0.30
RORB Q92753 1/20 0.30
POLB P06746 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
SCHEMBL3340084 0.89 GPBAR1 (0.35) GPBAR1RORARORCRORB
SCHEMBL3338302 0.89 CHRM4 (0.36) GPBAR1CHRM4RORARORCRORB
SCHEMBL31683687 0.89 CHRM4 (0.36) GPBAR1CHRM4RORARORCRORB
SCHEMBL30509048 0.82 GPBAR1 (0.39) GPBAR1RORARORCRORB
SCHEMBL3338812 0.81 GPBAR1 (0.40) GPBAR1RORARORCRORB
SCHEMBL30993924 0.81 GPBAR1 (0.40) GPBAR1RORARORCRORB
SCHEMBL23811152 0.81 CHRM4 (0.38) GPBAR1CHRM4RORARORCRORB
SCHEMBL4753004 0.80 CHRM4 (0.35) GPBAR1CHRM4RORCPOLB
SCHEMBL30509090 0.79 GPBAR1 (0.41) GPBAR1RORARORCRORB
SCHEMBL23800928 0.79 GPBAR1 (0.41) GPBAR1RORARORCRORB

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-2155194-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2010-02-24 EP disclosed
WO-2008124610-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO disclosed