SCHEMBL8315846

SCHEMBL8315846

CCOC(C)n1c(N2CCCNCC2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.49
NCF1 P14598 1/20 0.41

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
SCHEMBL8313269 0.95 HTR3A (0.53) HTR3A
SCHEMBL6586473 0.81 HIF1A (0.49)
SCHEMBL6771824 0.79 CYP1A2 (0.56) HTR3A
SCHEMBL6583159 0.77 HIF1A (0.46)
SCHEMBL7623226 0.77 HTR3A (0.60) HTR3A
SCHEMBL6777038 0.77 HTR3A (0.58) HTR3ANCF1
SCHEMBL6598243 0.76 HTR3A (0.61) HTR3A
SCHEMBL6596582 0.73 HTR3A (0.66) HTR3A
SCHEMBL7621226 0.73 HTR3A (0.63) HTR3A
Iodide SCHEMBL7628527 0.72 HTR3A (0.65) HTR3A

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
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed