SCHEMBL4903482

SCHEMBL4903482

CCc1cccc(C=N)c1CC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
TAAR1 Q96RJ0 2/20 0.36
HTR1A P08908 1/20 0.36
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
DHFR P00374 1/20 0.33
HTT P42858 1/20 0.32
MAOA P21397 1/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
CHAT P28329 1/20 0.31
PDK2 Q15119 1/20 0.31
MGLL Q99685 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
SCHEMBL16958549 0.83 GABRA1 (0.46) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL547944 0.81 MEN1 (0.44) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL14565080 0.80 GABRA1 (0.41) GABRA1GABRB2MAOACHATMGLL
SCHEMBL59712 0.79 GABRA1 (0.41) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL29407303 0.79 GABRA1 (0.41) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL11215662 0.78 GABRA1 (0.40) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL5528070 0.78 GABRA1 (0.40) GABRA1GABRB2TAAR1HTR1AKCNH2
Methylamine SCHEMBL28448210 0.78 GABRA1 (0.40) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL18535021 0.78 GABRA1 (0.40) GABRA1GABRB2MAOAPIM1PIM3
SCHEMBL18657222 0.78 GABRA1 (0.61) GABRA1GABRB2HTT

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
US-20080008866-A1 Silicone modified polyurea REACTAMINE TECHNOLOGY, LLC 2008-01-10 US disclosed