SCHEMBL7136117

SCHEMBL7136117

CC1(C)CCCN1c1cccc(C#N)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.55
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
GRM2 Q14416 1/20 0.31
PGR P06401 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 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
SCHEMBL7074512 0.82 AR (0.35) ARNOTUMHTR1AADRA1AADRA1B
SCHEMBL31131411 0.80 LRRK2 (0.37) ARNOTUMPRKCAPRKCQGRM2
SCHEMBL31131403 0.75 ALDH1A1 (0.46) AR
SCHEMBL3602754 0.71 AR (1.00) AR
SCHEMBL2784093 0.70 ALDH1A1 (0.46) HTR1A
SCHEMBL6484968 0.69 ALDH1A1 (0.52) ARNOTUMPDK2PGR
SCHEMBL25983090 0.69 AR (0.46) ARPDK2PGR
SCHEMBL7178500 0.69 AR (0.47) AR
SCHEMBL8368695 0.68 DRD2 (0.39) ARHTR1A
SCHEMBL2947316 0.68 LMNA (0.49) HTR1AADRA1AADRA1B

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