SCHEMBL9711018

SCHEMBL9711018

CCC(CCCN(C)C)N=C=N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
DNM1 Q05193 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
Hydrochloric Acid SCHEMBL182034 0.86
Hydrochloric Acid SCHEMBL8472312 0.86
Iodomethane SCHEMBL8880489 0.85
Hydrochloric Acid SCHEMBL15238577 0.82
SCHEMBL28145396 0.78 DNM1 (0.38) DNM1
Hydrochloric Acid SCHEMBL7284036 0.77 CYP1A2 (0.50) CYP1A2CYP2D6HTR2AHRH1DNM1
SCHEMBL9812486 0.76 LMNA (0.35) DNM1TSHR
SCHEMBL551460 0.76 ALDH1A1 (0.35) CYP1A2CYP2D6HTR2AHRH1DNM1
SCHEMBL28239800 0.74
SCHEMBL3389290 0.74

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-0485172-A2 Esters and amides of substituted indenyl acetic acids FGN, INC. (US) 1992-05-13 EP disclosed