SCHEMBL9602480

SCHEMBL9602480

C=CN(CCCCCCCCCC)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.50
SIGMAR1 Q99720 3/20 0.45
CNR2 P34972 2/20 0.44
DRD2 P14416 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
DNM1 Q05193 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40
PKM P14618 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
SCHEMBL27527563 1.00 KCNH2 (0.50) KCNH2SIGMAR1CNR2DRD2OPRM1
Hydrochloric Acid SCHEMBL27850433 0.98 KCNH2 (0.49) KCNH2SIGMAR1CNR2DRD2OPRM1
Hydrochloric Acid SCHEMBL27850434 0.98 KCNH2 (0.49) KCNH2SIGMAR1CNR2DRD2OPRM1
SCHEMBL9500849 0.98 KCNH2 (0.47) KCNH2SIGMAR1CNR2DRD2OPRM1
SCHEMBL855604 0.95 KCNH2 (0.44) KCNH2SIGMAR1CNR2BCHEMEN1
SCHEMBL26619205 0.92 EPHX2 (0.46) KCNH2CNR2EPHX2
SCHEMBL988252 0.87 KCNH2 (0.55) KCNH2SIGMAR1DRD2OPRM1DRD3
SCHEMBL989475 0.87 KCNH2 (0.64) KCNH2SIGMAR1DRD2OPRM1DRD3
SCHEMBL6658937 0.87 KCNH2 (0.55) KCNH2SIGMAR1DRD2OPRM1DRD3
Hydrochloric Acid SCHEMBL1551907 0.85 KCNH2 (0.54) KCNH2SIGMAR1DRD2OPRM1DRD3

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-0330772-B1 METHOD OF DOUBLE DECOMPOSITION OF NEUTRAL SALT TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1993-05-26 EP disclosed
EP-0330772-A1 Method of double decomposition of neutral salt TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-09-06 EP disclosed
US-4806219-A ELECTRODIALYSIS CELLS CONTAINING ION EXCHANGE MEMBRANES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-02-21 US disclosed