SCHEMBL16784875

SCHEMBL16784875

CC1(C)C(/C=C/C=C2/N(CCCS(=O)O)c3cc(C(=O)NCCS(=O)(=O)O)cc(C(=O)NCCS(=O)(=O)O)c3C2(C)C)=[N+](CCCS(=O)(=O)O)c2cc(C(=O)O)cc(C(=O)O)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 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
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 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
BDKRB2 P30411 1/20 0.40
ADORA1 P30542 1/20 0.40
AGTR1 P30556 1/20 0.40
SLC6A4 P31645 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
SCHEMBL15500299 0.94 HRH2 (0.43) HRH2MLNRNR1I2PGRADRB1
SCHEMBL15500297 0.91 HRH2 (0.42) HRH2MLNRNR1I2PGRADRB1
SCHEMBL29331205 0.90 HRH2 (0.46) HRH2MLNRNR1I2PGRADRB1
SCHEMBL19976544 0.89 HRH2 (0.42) HRH2MLNRNR1I2PGRADRB1
SCHEMBL254756 0.87 HRH2 (0.44) HRH2MLNRNR1I2PGRADRB1
SCHEMBL254129 0.87 HRH2 (0.47) HRH2MLNRNR1I2PGRADRB1
SCHEMBL15500278 0.87 HRH2 (0.48) HRH2MLNRNR1I2PGRADRB1
SCHEMBL15500279 0.86 HRH2 (0.39) HRH2MLNRNR1I2PGRADRB1
SCHEMBL19976566 0.86 HRH2 (0.45) HRH2MLNRNR1I2PGRADRB1
SCHEMBL19052146 0.85 HRH2 (0.47) HRH2MLNRNR1I2PGRADRB1

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
US-9051263-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-06-09 US disclosed