SCHEMBL9769468

SCHEMBL9769468

CN(CCOc1ccc(N)cc1)C1Cc2ccc(N)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
NFE2L2 Q16236 2/20 0.38
KEAP1 Q14145 1/20 0.37
TSHR P16473 1/20 0.37
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
DRD4 P21917 3/20 0.36
MCHR1 Q99705 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL9769473 0.79 SIGMAR1 (0.43) DRD2DRD3DRD4
SCHEMBL3466437 0.79 DRD2 (0.43) DRD2DRD3DRD4
SCHEMBL3466440 0.79 DRD2 (0.43) DRD2DRD3DRD4
SCHEMBL3467135 0.79 DRD2 (0.43) DRD2DRD3DRD4
SCHEMBL14484048 0.77 NFE2L2 (0.56) TDP1NFE2L2TSHR
SCHEMBL12156434 0.77 NFE2L2 (0.56) TDP1NFE2L2TSHR
SCHEMBL9769475 0.76 KCNH2 (0.54) KCNH2
SCHEMBL9716394 0.76 HRH3 (0.41) DRD2DRD3DRD4HRH3
SCHEMBL9769480 0.75 KCNH2 (0.57) DRD3NPC1RAB9AKCNH2
SCHEMBL2022333 0.74 KCNH2 (0.56) TDP1NFE2L2KEAP1TSHRDRD2

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-5006561-A Indane sulfonamide anti-arrhythmic agents and use PFIZER INC. (US) 1991-04-09 US disclosed
EP-0286278-A1 Indanamine derivatives useful as antiarrhythmic agents Pfizer Limited (GB) 1988-10-12 EP disclosed