SCHEMBL8771553

SCHEMBL8771553

CCCCCCCCc1ccccc1Cc1ccc(Cc2ccc(N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.47
HTR2A P28223 3/20 0.47
TLR8 Q9NR97 4/20 0.47
MAOB P27338 3/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOA P21397 1/20 0.40
GPR3 P46089 1/20 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
SCHEMBL8771701 0.98 HTR2A (0.49) LIPGHTR2ATLR8MAOBALDH1A1
SCHEMBL8771661 0.93 HTR2A (0.50) LIPGHTR2ATLR8MAOBALDH1A1
SCHEMBL8100866 0.90 LIPG (0.56) LIPGHTR2ATLR8ALDH1A1CYP3A4
SCHEMBL8098698 0.90 LIPG (0.56) LIPGHTR2ATLR8ALDH1A1CYP3A4
SCHEMBL8095272 0.90 LIPG (0.56) LIPGHTR2ATLR8ALDH1A1CYP3A4
SCHEMBL8679375 0.90 TLR8 (0.45) LIPGHTR2ATLR8MAOBALDH1A1
SCHEMBL8094124 0.88 HTR2A (0.52) LIPGHTR2ATLR8ALDH1A1CYP3A4
SCHEMBL8094855 0.88 HTR2A (0.52) LIPGHTR2ATLR8ALDH1A1CYP3A4
SCHEMBL8101352 0.88 HTR2A (0.52) LIPGHTR2ATLR8ALDH1A1CYP3A4
SCHEMBL8086301 0.88 LIPG (0.53) LIPGHTR2ATLR8ALDH1A1CYP3A4

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-0799270-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-10-08 EP disclosed
WO-1997014742-A1 POLYAMIC ACID, POLYIMIDE FILM AND LIQUID CRYSTAL ALIGNING FILM AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1997-04-24 WO disclosed