SCHEMBL17416802

SCHEMBL17416802

O=c1ccc2c3c(ccc2n1CCC(F)(F)F)NCC3

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
PLK1 P53350 3/20 0.35
MCHR1 Q99705 7/20 0.32
NOTUM Q6P988 1/20 0.31
CDC7 O00311 2/20 0.31

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
SCHEMBL17416814 0.75 GAA (0.38)
SCHEMBL7416358 0.65 NOTUM (0.41) NOTUM
Hydrochloric Acid SCHEMBL7416277 0.64 NOTUM (0.40) NOTUM
SCHEMBL9919049 0.61 GAA (0.38) NOTUM
SCHEMBL7420370 0.60 HSD17B10 (0.39) ARNOTUM
SCHEMBL5655667 0.59 NOTUM (0.41) NOTUM
SCHEMBL9919035 0.57 DRD1 (0.41) ARNOTUM
SCHEMBL7420610 0.57 GRIA1 (0.39) NOTUM
SCHEMBL9919078 0.56 NOTUM (0.35) NOTUM
SCHEMBL9919095 0.55 DRD1 (0.35) ARNOTUM

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-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP disclosed