SCHEMBL28790807

SCHEMBL28790807

C1=C(CCc2ccccc2)c2ccccc2C1Cc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.52
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 2/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH1 P35367 1/20 0.36
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL2353720 0.87 HTR6 (0.50) HTR6ABCB1HTR1ADRD2CYP1A2
SCHEMBL2354448 0.82 HTR6 (0.57) HTR6ABCB1HTR1ADRD2CYP1A2
SCHEMBL27943263 0.80 HTR6 (0.60) HTR6ABCB1HTR1ADRD2CYP1A2
SCHEMBL5004387 0.75 HTR6 (0.38) HTR6HRH1HTTL3MBTL1MEN1
SCHEMBL5004306 0.73 ADRA2A (0.39) HTR6HTR1ACYP1A2CYP2D6HPGD
Hydrochloric Acid SCHEMBL5606270 0.72 HRH1 (0.42) CYP1A2CYP2D6ALOX15HRH1HSD17B10
Hydrochloric Acid SCHEMBL910832 0.71 HTR6 (0.46) HTR6ALOX15HPGDTDP1KCNH2
SCHEMBL13768755 0.71 HTR6 (0.35) HTR6
SCHEMBL29572974 0.71 CYP1A2 (0.69) ABCB1HTR1ADRD2CYP1A2CYP2D6
SCHEMBL1760766 0.71 CYP1A2 (0.69) ABCB1HTR1ADRD2CYP1A2CYP2D6

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
CN-101903413-B Ethylene terpolymers BASELL POLYOLEFINE GMBH 2014-03-12 CN disclosed
CN-101903413-A Ethylene terpolymers BASELL POLYOLEFINE GMBH 2010-12-01 CN disclosed