SCHEMBL27639725

SCHEMBL27639725

NCC(C(N)=O)(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 14/20 0.64
▸ KCNE1 P15382 1/20 0.54
▸ KCNQ1 P51787 1/20 0.54
▸ KIF11 P52732 3/20 0.47
▸ LMNA P02545 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL27639783 0.79 KIF11 (0.51) KIF11LMNACHRM2CYP2D6CHRM1
SCHEMBL28875440 0.78 KCNN4 (0.72) KCNN4KCNE1KCNQ1KIF11MAPT
Senicapoc SCHEMBL1443805 0.78 KCNN4 (1.00) KCNN4KCNE1KCNQ1KIF11MAPT
SCHEMBL2337394 0.78 KCNN4 (1.00) KCNN4KCNE1KCNQ1KIF11MAPT
SCHEMBL5432726 0.77 KCNN4 (0.57) KCNN4KCNE1KCNQ1KIF11MAPT
SCHEMBL637563 0.75 CYP1A2 (0.46) KIF11LMNACHRM2CYP2D6CHRM1
SCHEMBL5056595 0.75 KCNN4 (0.68) KCNN4KCNE1KCNQ1KIF11MAPT
SCHEMBL28151671 0.75 KCNN4 (0.68) KCNN4KCNE1KCNQ1KIF11MAPT
SCHEMBL27361319 0.75 KCNN4 (0.53) KCNN4KCNE1KCNQ1KIF11CHRM2
SCHEMBL3432388 0.75 KCNN4 (0.53) KCNN4KCNE1KCNQ1KIF11CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101790374-A Use of kncq potassium channel openers for reducing symptoms of or treating disorders or conditions wherein the dopaminergic system is disrupted LUNDBECK & CO AS H 2010-07-28 — — CN claimed
CN-1761464-A Substituted p-diaminobenzene derivatives LUNDBECK & CO AS H (DK) 2006-04-19 — — CN claimed
CN-101378742-B Use of KCNQ-openers for the preparation of a pharmaceutical composition for the treatment of schizophrenia LUNDBECK & CO AS H 2013-07-10 — — CN disclosed
CN-101790374-A Use of kncq potassium channel openers for reducing symptoms of or treating disorders or conditions wherein the dopaminergic system is disrupted LUNDBECK & CO AS H 2010-07-28 — — CN disclosed
CN-1761464-A Substituted p-diaminobenzene derivatives LUNDBECK & CO AS H (DK) 2006-04-19 — — CN disclosed
Send feedback