SCHEMBL9147659

SCHEMBL9147659

N#CNC(=NCCCc1ccccc1)Nc1ccc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.53
HRH2 P25021 4/20 0.53
QPCT Q16769 4/20 0.48
NAMPT P43490 4/20 0.46
MAPKAPK2 P49137 1/20 0.45
HTR3A P46098 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7424829 0.87 HRH4 (0.53) HRH4HRH2QPCTNAMPT
SCHEMBL9148294 0.84 HRH4 (0.50) HRH4HRH2QPCTNAMPT
SCHEMBL7356849 0.82 NAMPT (0.60) HRH4HRH2QPCTNAMPTCYP3A4
SCHEMBL8620026 0.81 HRH4 (0.50) HRH4HRH2QPCTNAMPT
SCHEMBL7353954 0.81 HRH4 (0.52) HRH4HRH2QPCTNAMPTMAPKAPK2
SCHEMBL9147554 0.78 HRH4 (0.43) HRH4HRH2NAMPTCYP3A4CYP2C9
SCHEMBL7430610 0.77 HRH4 (0.52) HRH4HRH2QPCTNAMPT
SCHEMBL7350535 0.74 NAMPT (0.62) HRH4HRH2QPCTNAMPTCYP3A4
SCHEMBL7423091 0.74 NAMPT (0.59) HRH4HRH2QPCTNAMPTMAPKAPK2
SCHEMBL7360003 0.73 P2RX7 (0.61) HRH4HRH2QPCTNAMPT

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-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP claimed
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP disclosed