SCHEMBL7018706

SCHEMBL7018706

CC1(C)C(C=CC=CC=CNc2ccccc2)=[N+](CCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
HRH2 P25021 3/20 0.40
OPRK1 P41145 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ADORA1 P30542 2/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADRB1 P08588 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CNR1 P21554 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 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
SCHEMBL14404492 1.00 PTPN1 (0.41) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL1658645 0.99 PTPN1 (0.41) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL1658644 0.99 PTPN1 (0.41) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL1656266 0.93 MEN1 (0.43) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL13567272 0.93 MEN1 (0.43) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL3901077 0.92 MEN1 (0.42) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL3901072 0.92 MEN1 (0.42) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL3901075 0.92 MEN1 (0.42) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL1715260 0.90 HRH2 (0.42) PTPN1CHRM1CHRM3HRH2OPRK1
SCHEMBL1715259 0.90 HRH2 (0.42) PTPN1CHRM1CHRM3HRH2OPRK1

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-1322710-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Molecular Probes Inc. (US) 2003-07-02 EP disclosed
WO-2002026891-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES MOLECULAR PROBES, INC. (US) 2002-04-04 WO disclosed