SCHEMBL15930458

SCHEMBL15930458

CC1(C)c2ccccc2-c2c1n(-c1cccc(-c3ccc4ccc5cccnc5c4n3)c1)c1ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
FABP1 P07148 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4D Q08499 1/20 0.30
CCR1 P32246 2/20 0.30
HTT P42858 2/20 0.30
CCR8 P51685 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MMP2 P08253 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL15930336 0.89 HTR2A (0.32) HTR2AHTR2CHTR2BCCR1HTT
SCHEMBL15930457 0.88 HTR2A (0.33) HTR2AHTR2CHTR2BFABP1PDE4A
SCHEMBL15930456 0.87 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL15930443 0.87 HTR2A (0.32) HTR2AHTR2CHTR2BFABP1
SCHEMBL16275973 0.86 HTT (0.30) HTT
SCHEMBL16275775 0.86 HTT (0.30) HTT
SCHEMBL15930473 0.84 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL15930431 0.84 HTR2A (0.31) HTR2AHTR2CHTR2BPDE4APDE4D
SCHEMBL15930449 0.84 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL15930407 0.84 HTR2A (0.31) HTR2AHTR2CHTR2BFABP1HTT

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
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed