SCHEMBL19975740

SCHEMBL19975740

CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCS(=O)(=O)[O-])c3ccc4cc(-c5cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c5)ccc4c3C2(C)C)C(C)(C)c2c1cc(S(=O)(=O)O)c1cc(-c3cc(C(=O)NCC)nc(C(=O)NCC)c3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.54
HRH3 Q9Y5N1 2/20 0.54
MLNR O43193 1/20 0.54
NR1I2 O75469 1/20 0.54
PGR P06401 1/20 0.54
ADRB1 P08588 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54
CNR1 P21554 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR2C P28335 1/20 0.54
BDKRB2 P30411 1/20 0.54
ADORA1 P30542 1/20 0.54
AGTR1 P30556 1/20 0.54

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
SCHEMBL29309516 0.98 MLNR (0.51) HRH2HRH3MLNRNR1I2PGR
SCHEMBL19975739 0.98 MLNR (0.51) HRH2HRH3MLNRNR1I2PGR
SCHEMBL101398 0.97 MLNR (0.51) HRH2HRH3MLNRNR1I2PGR
SCHEMBL101410 0.95 MLNR (0.47) HRH2HRH3MLNRNR1I2PGR
SCHEMBL18876746 0.95 MLNR (0.47) HRH2HRH3MLNRNR1I2PGR
SCHEMBL29309518 0.88 HRH2 (0.51) HRH2HRH3MLNRNR1I2PGR
SCHEMBL29309517 0.87 HRH3 (0.47) HRH2HRH3MLNRNR1I2PGR
SCHEMBL19976546 0.86 FOLH1 (0.49) HRH2HRH3MLNRNR1I2PGR
SCHEMBL17301761 0.85 FOLH1 (0.48) HRH2HRH3MLNRNR1I2PGR
SCHEMBL18876747 0.85 FOLH1 (0.43) HRH2HRH3MLNRNR1I2PGR

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-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed