SCHEMBL8771496

SCHEMBL8771496

CCCCCCCCCCC(c1ccc(N)cc1)c1ccc(CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
CSNK1E P49674 1/20 0.42
CYP19A1 P11511 2/20 0.42
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
SLC2A1 P11166 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
S1PR2 O95136 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8771422 1.00 HTR2A (0.46) HTR2ACSNK1ECYP19A1MAPTRAB9A
SCHEMBL8771618 1.00 HTR2A (0.46) HTR2ACSNK1ECYP19A1MAPTRAB9A
SCHEMBL8771510 1.00 HTR2A (0.46) HTR2ACSNK1ECYP19A1MAPTRAB9A
SCHEMBL8771524 1.00 HTR2A (0.46) HTR2ACSNK1ECYP19A1MAPTRAB9A
SCHEMBL8771576 0.98 HTR2A (0.44) HTR2ACSNK1ECYP19A1MAPTRAB9A
SCHEMBL8771501 0.93 CYP19A1 (0.43) HTR2ACYP19A1MAPTRAB9AALDH1A1
SCHEMBL8094321 0.91 CYP19A1 (0.45) HTR2ACSNK1ECYP19A1MAPTRAB9A
SCHEMBL8086005 0.91 CYP19A1 (0.45) HTR2ACSNK1ECYP19A1MAPTRAB9A
SCHEMBL8087263 0.91 CYP19A1 (0.45) HTR2ACSNK1ECYP19A1MAPTRAB9A
SCHEMBL13523892 0.91 CYP19A1 (0.45) HTR2ACSNK1ECYP19A1MAPTRAB9A

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