SCHEMBL7362655

SCHEMBL7362655

N#C/N=C(/Nc1cncc(N)c1)NC1(c2ccccc2)CCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.34
SCN9A Q15858 7/20 0.33
DPP4 P27487 1/20 0.33
TACR3 P29371 2/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
OPRD1 P41143 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
DYRK1A Q13627 4/20 0.31
WNT1 P04628 1/20 0.30
NAMPT P43490 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL7362657 1.00 VNN1 (0.34) VNN1SCN9ADPP4TACR3ROCK2
SCHEMBL7359974 0.85 VNN1 (0.37) VNN1SCN9ADPP4TACR3ROCK2
SCHEMBL7359969 0.85 VNN1 (0.37) VNN1SCN9ADPP4TACR3ROCK2
SCHEMBL4259491 0.84 P2RX7 (0.41) DYRK1ANAMPT
SCHEMBL13949283 0.84 P2RX7 (0.41) DYRK1ANAMPT
SCHEMBL8439682 0.84 VNN1 (0.36) VNN1SCN9ADPP4TACR3ROCK2
SCHEMBL7357917 0.84 P2RX7 (0.41) DYRK1ANAMPT
SCHEMBL7363327 0.82 VNN1 (0.35) VNN1SCN9ADPP4TACR3ROCK2
SCHEMBL7363331 0.82 VNN1 (0.35) VNN1SCN9ADPP4TACR3ROCK2
SCHEMBL7358020 0.82 VNN1 (0.35) VNN1SCN9ADPP4TACR3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741708-B1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS UPJOHN CO (US) 1998-05-20 EP claimed
US-5668157-A Cyanoguanidines as K-channel blockers PHARMACIA & UPJOHN COMPANY (US) 1997-09-16 US claimed
EP-0741708-A1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS PHARMACIA & UPJOHN COMPANY (US) 1996-11-13 EP claimed
WO-1995020579-A1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS PHARMACIA & UPJOHN COMPANY (US) 1995-08-03 WO claimed
EP-0741708-B1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS UPJOHN CO (US) 1998-05-20 EP disclosed
US-5668157-A Cyanoguanidines as K-channel blockers PHARMACIA & UPJOHN COMPANY (US) 1997-09-16 US disclosed
EP-0741708-A1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS PHARMACIA & UPJOHN COMPANY (US) 1996-11-13 EP disclosed
WO-1995020579-A1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS PHARMACIA & UPJOHN COMPANY (US) 1995-08-03 WO disclosed