SCHEMBL9502040

SCHEMBL9502040

CCCCCN(C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.46
SIGMAR1 Q99720 4/20 0.46
HTR2A P28223 4/20 0.44
HRH1 P35367 3/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
ICMT O60725 1/20 0.40
ALB P02768 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL27611422 0.98 KCNH2 (0.49) KCNH2SIGMAR1HTR2AHRH1OPRM1
SCHEMBL10513477 0.86 HTR2A (0.47) KCNH2SIGMAR1HTR2AHRH1OPRM1
SCHEMBL14288496 0.84 SIGMAR1 (0.44) KCNH2SIGMAR1HTR2AHRH1OPRM1
Hydrochloric Acid SCHEMBL27522779 0.82 KCNH2 (0.43) KCNH2SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL28513356 0.81 KCNH2 (0.48) KCNH2SIGMAR1HTR2AHRH1ICMT
SCHEMBL28024024 0.81 KCNH2 (0.48) KCNH2SIGMAR1HTR2AHRH1ICMT
Water SCHEMBL28973048 0.81 KCNH2 (0.46) KCNH2SIGMAR1HTR2AHRH1OPRM1
SCHEMBL27819823 0.81 KCNH2 (0.50) KCNH2SIGMAR1HTR2AOPRM1OPRD1
SCHEMBL11451801 0.80 KCNH2 (0.50) KCNH2SIGMAR1HTR2AHRH1OPRM1
Hydrochloric Acid SCHEMBL28780915 0.80 KCNH2 (0.47) KCNH2SIGMAR1HTR2AHRH1ICMT

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-0200404-B1 SOLID PHASE PROCESS FOR SYNTHESIZING PEPTIDES ALPHA-1 BIOMEDICALS, INC. (US) 1993-06-30 EP disclosed
US-4855407-A Solid phase process for synthesizing peptides ALPHA-1 BIOMEDICALS, INC. (US) 1989-08-08 US disclosed
EP-0200404-A2 Solid phase process for synthesizing peptides ALPHA-1 BIOMEDICALS, INC. (US) 1986-11-05 EP disclosed