SCHEMBL16675693

SCHEMBL16675693

CN(C)[C@H]1CCN(c2cccc(N)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.50
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
KDR P35968 1/20 0.46
HTR6 P50406 4/20 0.43
HTR2B P41595 2/20 0.43
MAP4K4 O95819 1/20 0.43
MCHR1 Q99705 5/20 0.43
BPTF Q12830 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.41
NOTUM Q6P988 1/20 0.40
HTR1D P28221 2/20 0.40

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
SCHEMBL12027635 1.00 ADRA2C (0.50) ADRA2CPDGFRBFGFR1KDRHTR6
SCHEMBL3440424 0.90 ADRA2C (0.57) ADRA2CPDGFRBFGFR1KDRMAPT
SCHEMBL29833219 0.86 PDGFRB (0.41) ADRA2CPDGFRBFGFR1KDRHTR6
SCHEMBL14980549 0.84 NOTUM (0.57) HTR6HTR2BMCHR1MAPTALDH1A1
SCHEMBL4186891 0.83 NPY5R (0.48) PDGFRBFGFR1KDRHTR6HTR2B
SCHEMBL188111 0.82 MCHR1 (0.48) ADRA2CMAP4K4MCHR1MAPTKDM4E
SCHEMBL188110 0.82 MCHR1 (0.48) ADRA2CMAP4K4MCHR1MAPTKDM4E
SCHEMBL188535 0.82 MCHR1 (0.48) ADRA2CMAP4K4MCHR1MAPTKDM4E
SCHEMBL13174962 0.82 MCHR1 (0.56) HTR6MCHR1KCNH2NOTUMHTR1D
SCHEMBL16719407 0.82 MCHR1 (0.56) HTR6MCHR1KCNH2NOTUMHTR1D

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
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed