SCHEMBL7074512

SCHEMBL7074512

CC1(C)CCN(c2cccc(C#N)c2C(F)(F)F)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.35
NOTUM Q6P988 1/20 0.35
HTR1A P08908 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCQ Q04759 1/20 0.33
PDK2 Q15119 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL7136117 0.82 AR (0.55) ARNOTUMHTR1AADRA1AADRA1B
SCHEMBL31131411 0.74 LRRK2 (0.37) ARNOTUMPRKCAPRKCQDRD2
SCHEMBL31131403 0.72 ALDH1A1 (0.46) ARLMNA
SCHEMBL2947316 0.70 LMNA (0.49) HTR1AADRA1AADRA1BDRD2HTR7
SCHEMBL2784093 0.70 ALDH1A1 (0.46) HTR1ADRD2HTR7LMNA
SCHEMBL6484968 0.69 ALDH1A1 (0.52) ARNOTUMPDK2LMNA
SCHEMBL25983090 0.69 AR (0.46) ARPDK2
SCHEMBL7178500 0.69 AR (0.47) AR
SCHEMBL8368695 0.68 DRD2 (0.39) ARHTR1ADRD2HTR7
SCHEMBL5943005 0.67 TLR9 (0.46) AR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144366-A3 USE OF ANDROGEN RECEPTOR SUPPRESSORS BIOPHYSICA, INC. (US) 2003-06-04 EP disclosed
EP-1144366-A2 USE OF ANDROGEN RECEPTOR SUPPRESSORS BIOPHYSICA, INC. (US) 2001-10-17 EP disclosed
WO-2000037430-A2 USE OF ANDROGEN RECEPTOR SUPPRESSORS BIOPHYSICA, INC. (US) 2000-06-29 WO disclosed