SCHEMBL19458378

SCHEMBL19458378

C=CC(=O)NCCCN(C)Cc1ccc(C[N+](C)(C)CCCNC(=O)C=C)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.42
TMEM97 Q5BJF2 12/20 0.42
APP P05067 1/20 0.42
ACKR3 P25106 2/20 0.41
OPRM1 P35372 2/20 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
SCHEMBL19458493 0.94 APP (0.43) SIGMAR1TMEM97APPACKR3
SCHEMBL17857999 0.88 TMEM97 (0.51) SIGMAR1TMEM97APPACKR3OPRM1
SCHEMBL16319751 0.88 ZDHHC20 (0.46)
Bromide SCHEMBL14637403 0.86 ZDHHC20 (0.45)
SCHEMBL18314763 0.84 ZDHHC20 (0.49)
SCHEMBL18331531 0.83 SIGMAR1 (0.49) SIGMAR1TMEM97APPACKR3OPRM1
SCHEMBL17858063 0.83 ZDHHC20 (0.45)
SCHEMBL18331381 0.82 SIGMAR1 (0.46) SIGMAR1TMEM97APPACKR3OPRM1
SCHEMBL17086585 0.81 TMEM97 (0.61) SIGMAR1TMEM97APPACKR3OPRM1
SCHEMBL13903978 0.81 TGM2 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333846-A1 COMPOSITE ANION EXCHANGE MEMBRANE, METHOD FOR PRODUCING THE SAME, ION EXCHANGE MEMBRANE MODULE, AND ION EXCHANGE DEVICE FUJIFILM CORPORATION (JP) 2017-11-23 US disclosed
US-9790338-B2 Ion exchange membrane and method for manufacturing the same FUJIFILM CORPORATION (JP) 2017-10-17 US disclosed