SCHEMBL16558276

SCHEMBL16558276

CCCN1/C(=C/C=C/C2=[N+](CCCS(=O)(=O)O)c3c(cc(-c4cc(C(=O)NC)nc(C(=O)NCC)c4)c4ccccc34)C2(C)C)C(C)(C)c2cc(-c3cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCC(=O)O)c3)c3ccccc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
ADORA1 P30542 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADRB1 P08588 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CNR1 P21554 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
HTR2C P28335 1/20 0.35
BDKRB2 P30411 1/20 0.35
AGTR1 P30556 1/20 0.35

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
SCHEMBL10111905 0.98 PTPN1 (0.38) PTPN1ADORA1CHRM1CHRM3MLNR
SCHEMBL10111969 0.94 PTPN1 (0.40) PTPN1ADORA1CHRM1CHRM3MLNR
SCHEMBL10111825 0.93 PTPN1 (0.38) PTPN1ADORA1CHRM1CHRM3MLNR
SCHEMBL16558275 0.93 PTPN1 (0.34) PTPN1ADORA1CHRM1CHRM3MLNR
SCHEMBL16252398 0.93 PTPN1 (0.41) PTPN1ADORA1CHRM1CHRM3MLNR
SCHEMBL17207923 0.91 PTPN1 (0.36) PTPN1ADORA1CHRM1CHRM3MLNR
SCHEMBL16252441 0.91 PTPN1 (0.39) PTPN1ADORA1CHRM1CHRM3MLNR
SCHEMBL16252397 0.89 PTPN1 (0.43) PTPN1ADORA1CHRM1CHRM3MLNR
SCHEMBL10111836 0.89 PTPN1 (0.34) PTPN1ADORA1CHRM1CHRM3MLNR
SCHEMBL22259975 0.88 PTPN1 (0.43) PTPN1ADORA1CHRM1CHRM3MLNR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 US disclosed
US-20150072894-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-03-12 US disclosed