SCHEMBL7430610

SCHEMBL7430610

N#CNC(=NCCCc1ccccc1)Nc1cncc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.52
HRH2 P25021 2/20 0.52
NAMPT P43490 3/20 0.48
QPCT Q16769 5/20 0.47
POLB P06746 1/20 0.42
KCNJ11 Q14654 5/20 0.42

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
SCHEMBL7353954 0.87 HRH4 (0.52) HRH4HRH2NAMPTQPCT
SCHEMBL8915165 0.85 NAMPT (0.52) NAMPTQPCTKCNJ11
SCHEMBL8915162 0.85 NAMPT (0.52) NAMPTQPCTKCNJ11
SCHEMBL8921935 0.83 NAMPT (0.57) NAMPTQPCTKCNJ11
SCHEMBL8921940 0.83 NAMPT (0.57) NAMPTQPCTKCNJ11
SCHEMBL7356849 0.83 NAMPT (0.60) HRH4HRH2NAMPTQPCTKCNJ11
SCHEMBL8918937 0.82 HRH4 (0.48) HRH4HRH2NAMPTQPCTKCNJ11
SCHEMBL8918934 0.82 HRH4 (0.48) HRH4HRH2NAMPTQPCTKCNJ11
SCHEMBL7430606 0.78 POLB (0.53) HRH4HRH2POLB
SCHEMBL7423091 0.78 NAMPT (0.59) HRH4HRH2NAMPTQPCTKCNJ11

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
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