SCHEMBL28027227

SCHEMBL28027227

CCCCCCCCCCCCCCCC1=NCCN1CCN

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DNM1 Q05193 7/20 0.33
SPHK1 Q9NYA1 1/20 0.33
DRD4 P21917 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33

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
SCHEMBL1028581 1.00 HTR2A (0.36) HTR2ACYP1A2CYP2D6MEN1KMT2A
SCHEMBL8628242 1.00 HTR2A (0.36) HTR2ACYP1A2CYP2D6MEN1KMT2A
SCHEMBL28587185 1.00 HTR2A (0.36) HTR2ACYP1A2CYP2D6MEN1KMT2A
SCHEMBL9788447 1.00 HTR2A (0.36) HTR2ACYP1A2CYP2D6MEN1KMT2A
SCHEMBL7778398 1.00 HTR2A (0.36) HTR2ACYP1A2CYP2D6MEN1KMT2A
SCHEMBL11152516 1.00 HTR2A (0.36) HTR2ACYP1A2CYP2D6MEN1KMT2A
SCHEMBL4369115 1.00 HTR2A (0.36) HTR2ACYP1A2CYP2D6MEN1KMT2A
SCHEMBL17324939 1.00 HTR2A (0.36) HTR2ACYP1A2CYP2D6MEN1KMT2A
SCHEMBL8625776 1.00 HTR2A (0.36) HTR2ACYP1A2CYP2D6MEN1KMT2A
SCHEMBL8629770 1.00 HTR2A (0.36) HTR2ACYP1A2CYP2D6MEN1KMT2A

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
CN-104863553-A Novel gas well water block releasing method ZHAO JINSHU 2015-08-26 CN disclosed