SCHEMBL6528243

SCHEMBL6528243

C=CCN(CC=C)CCN(CC=C)CCN(CC=C)CC=C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.38
OPRM1 P35372 6/20 0.38
OPRD1 P41143 4/20 0.38
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
HTR1A P08908 5/20 0.34
ADRA2A P08913 5/20 0.34
ADRA2B P18089 5/20 0.34
ADRA2C P18825 5/20 0.34
HTR1D P28221 5/20 0.34
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
HTR1E P28566 5/20 0.34
SLC6A4 P31645 5/20 0.34
ADRA1A P35348 5/20 0.34
HRH1 P35367 5/20 0.34
DRD3 P35462 5/20 0.34

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
SCHEMBL127488 0.96 TSHR (0.38) OPRK1OPRM1OPRD1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9501246 0.93 OPRK1 (0.36) OPRK1OPRM1OPRD1KMT2AKDM4E
SCHEMBL6527091 0.87 OPRK1 (0.35) OPRK1OPRM1OPRD1KMT2AKDM4E
SCHEMBL10833373 0.86 ALDH1A1 (0.33) OPRK1OPRM1OPRD1KMT2AKDM4E
SCHEMBL9700680 0.86 ALDH1A1 (0.33) OPRK1OPRM1OPRD1KMT2AKDM4E
SCHEMBL2699253 0.83 ALDH1A1 (0.35) OPRK1OPRM1OPRD1KMT2AKDM4E
SCHEMBL213436 0.83 ALDH1A1 (0.35) OPRK1OPRM1OPRD1KMT2AKDM4E
SCHEMBL7753868 0.82 KMT2A (0.48) OPRK1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL29040646 0.82 CA12 (0.38) OPRK1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL31711370 0.82 OPRM1 (0.37) OPRK1OPRM1OPRD1KMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197420-A1 Class of amine coinitiators in photoinitiated polymerizations ALBEMARLE CORPORATION 2005-09-08 US claimed
WO-1992005433-A1 CONTINUOUS POSITIVE CHARGE CAPILLARY COLUMNS USED IN CAPILLARY ELECTROPHORESIS KERR ROBERT (FR) 1992-04-02 WO claimed
US-20240059920-A1 INK COMPOSITION AND ELECTRONIC APPARATUS INCLUDING FILM PREPARED USING INK COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-22 US disclosed
WO-2024035042-A1 INK COMPOSITION, AND ELECTRONIC DEVICE COMPRISING FILM FORMED USING SAME 삼성디스플레이주식회사 2024-02-15 WO disclosed