SCHEMBL7928211

SCHEMBL7928211

NCCc1cn([Ru]Cl)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
HTR6 P50406 15/20 0.49
SCN9A Q15858 1/20 0.47
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL7561915 0.79 HTR2A (0.66) HTR2AHTR6SCN9AHRH1TAAR1
SCHEMBL6787250 0.77 HTR2A (0.64) HTR2AHTR6SCN9AHRH1TAAR1
Hydrochloric Acid SCHEMBL25287442 0.76 HTR2A (0.62) HTR2AHTR6SCN9AHRH1OPRM1
SCHEMBL10923948 0.74 HTR2A (0.64) HTR2AHTR6SCN9AOPRM1OPRK1
SCHEMBL106451 0.74 HTR2A (0.64) HTR2AHTR6SCN9AOPRM1OPRK1
SCHEMBL25166949 0.74 HTR2A (0.64) HTR2AHTR6SCN9AOPRM1OPRK1
SCHEMBL332959 0.74 HTR2A (1.00) HTR2AHTR6SCN9A
SCHEMBL7928184 0.73 HTR2A (0.58) HTR2AHTR6SCN9AHRH1OPRM1
Hydrochloric Acid SCHEMBL9695585 0.72 HTR2A (0.62) HTR2AHTR6SCN9AOPRM1OPRK1
Ammonia Solution, Strong SCHEMBL28037069 0.72 HTR2A (0.62) HTR2AHTR6SCN9AOPRM1OPRK1

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-6239062-B1 ORGANOMETALLIC COMPOUND OF A GROUP 3 TO 10 TRANSITION OR LANTHANIDE METAL AND A MULTIDENTATE LIGAND CHARACTERIZED BY AN INDOLYL GROUP LINKED TO AN AMIDO GROUP, WHERE THE INDOLYL IS PI-BONDED AND THE AMIDO GROUP IS SIGMA BONDED TO THE METAL EQUISTAR CHEMICALS, L.P. 2001-05-29 US disclosed