SCHEMBL4776175

SCHEMBL4776175

[c]1ccc(NCc2ncc[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.70
KLK1 P06870 1/20 0.56
KLK5 Q9Y337 1/20 0.56
FPR2 P25090 1/20 0.41
TERT O14746 1/20 0.41
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CSF1R P07333 1/20 0.36
ILK Q13418 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35

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
SCHEMBL4778364 0.83 TERT (0.58) TAAR1KLK1KLK5FPR2TERT
SCHEMBL3166154 0.82 TAAR1 (1.00) TAAR1KLK1KLK5FPR2TERT
SCHEMBL4779375 0.81 TERT (0.47) TAAR1KLK1KLK5TERTPTH1R
SCHEMBL2472567 0.79 TAAR1 (0.70) TAAR1KLK1KLK5FPR2TERT
SCHEMBL4776719 0.79 TAAR1 (0.70) TAAR1KLK1KLK5FPR2TERT
SCHEMBL6298733 0.79 TAAR1 (0.70) TAAR1KLK1KLK5FPR2TERT
SCHEMBL2469427 0.79 TAAR1 (0.70) TAAR1KLK1KLK5FPR2TERT
SCHEMBL2466732 0.79 TAAR1 (0.70) TAAR1KLK1KLK5FPR2TERT
SCHEMBL2471283 0.79 TAAR1 (0.70) TAAR1KLK1KLK5FPR2TERT
Hydrochloric Acid SCHEMBL6304644 0.78 TAAR1 (0.68) TAAR1KLK1KLK5FPR2TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO claimed
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed