SCHEMBL7093451

SCHEMBL7093451

CCN1CCCc2cccc(C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)O)c21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
PTGER4 P35408 13/20 0.39
P2RX7 Q99572 1/20 0.36
HTR1A P08908 1/20 0.36
PTGER2 P43116 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
INMT O95050 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
SCHEMBL7096495 0.84 ALDH1A1 (0.45) HRH3PTGER4KDM4EMEN1ALDH1A1
SCHEMBL6645348 0.83 HRH3 (0.47) HRH3PTGER4HTR1APTGER2MEN1
SCHEMBL6850945 0.76 HDAC1 (0.44) HRH3KDM4EMEN1ALDH1A1MAPT
SCHEMBL6649352 0.74 HRH3 (0.47) HRH3PTGER4PTGER2KDM4EMEN1
SCHEMBL988000 0.70 PTGER4 (0.59) PTGER4PTGER2MAPT
SCHEMBL12495697 0.70 HRH3 (0.43) HRH3PTGER4HTR1APTGER2MEN1
SCHEMBL11842202 0.69 HRH3 (0.51) HRH3HTR1AKDM4EMEN1ALDH1A1
SCHEMBL19603145 0.69 HRH3 (0.51) HRH3PTGER4HTR1APTGER2MEN1
SCHEMBL29977549 0.68 HRH3 (0.50) HRH3HTR1AKDM4EMEN1ALDH1A1
SCHEMBL27158593 0.68 HRH3 (0.50) HRH3HTR1AKDM4EMEN1ALDH1A1

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
EP-1173519-B1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE KARL-HEINZ (DE) 2003-08-20 EP disclosed