SCHEMBL6433111

SCHEMBL6433111

CCCC(c1ccc(CC#N)cc1)c1ncc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.35
F2RL1 P55085 10/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4642031 0.82 FPR2 (0.39) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL953334 0.80 CHRM2 (0.43) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL10686017 0.76 CYP19A1 (0.45) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL8088802 0.76 FPR2 (0.43) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL5597421 0.76 FPR2 (0.39) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL10530699 0.75 AAK1 (0.37) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL8993022 0.75 HTR2A (0.41) ADRA2AADRA2BADRA2CCYP1A2CYP3A4
SCHEMBL4640751 0.73 L3MBTL1 (0.42) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL9803992 0.72 CYP19A1 (0.43) FPR2F2RL1ADRA2AADRA2BADRA2C
SCHEMBL4642675 0.72 ALDH1A1 (0.56) FPR2ADRA2AADRA2BADRA2CCYP1A2

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-1492515-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2005-01-05 EP disclosed
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed