SCHEMBL7424829

SCHEMBL7424829

Cc1ccc(NC(=NCCCc2ccccc2)NC#N)cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.53
QPCT Q16769 6/20 0.53
HRH2 P25021 3/20 0.53
NAMPT P43490 4/20 0.46
KCNJ11 Q14654 1/20 0.41

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
SCHEMBL9147659 0.87 HRH4 (0.53) HRH4QPCTHRH2NAMPT
SCHEMBL9148294 0.86 HRH4 (0.50) HRH4QPCTHRH2NAMPT
SCHEMBL7356849 0.84 NAMPT (0.60) HRH4QPCTHRH2NAMPTKCNJ11
SCHEMBL8620026 0.81 HRH4 (0.50) HRH4QPCTHRH2NAMPT
SCHEMBL7360003 0.80 P2RX7 (0.61) HRH4QPCTHRH2NAMPT
SCHEMBL7424828 0.78 CYP3A4 (0.44) HRH4HRH2NAMPT
SCHEMBL7430610 0.77 HRH4 (0.52) HRH4QPCTHRH2NAMPTKCNJ11
SCHEMBL7353954 0.77 HRH4 (0.52) HRH4QPCTHRH2NAMPT
SCHEMBL7350535 0.77 NAMPT (0.62) HRH4QPCTHRH2NAMPTKCNJ11
SCHEMBL7423091 0.74 NAMPT (0.59) HRH4QPCTHRH2NAMPTKCNJ11

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