SCHEMBL7361553

SCHEMBL7361553

CCC(N=C(NC#N)Nc1ccc(NS(C)(=O)=O)nc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 14/20 0.42
ABCC9 O60706 2/20 0.41
NAMPT P43490 5/20 0.39
P2RX7 Q99572 1/20 0.36

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
SCHEMBL8619795 0.83 KCNJ11 (0.41) KCNJ11ABCC9P2RX7
SCHEMBL8620014 0.83 KCNJ11 (0.48) KCNJ11ABCC9NAMPTP2RX7
SCHEMBL7353566 0.82 KCNJ11 (0.46) KCNJ11ABCC9P2RX7
SCHEMBL7349705 0.80 KCNJ11 (0.44) KCNJ11ABCC9P2RX7
SCHEMBL9425856 0.79 KCNJ11 (0.57) KCNJ11ABCC9
SCHEMBL7361551 0.79 TACR3 (0.40)
SCHEMBL7361549 0.79 TACR3 (0.40)
SCHEMBL7349440 0.77 ABCC9 (0.58) KCNJ11ABCC9NAMPTP2RX7
SCHEMBL7359994 0.73 KCNJ11 (0.49) KCNJ11ABCC9P2RX7
SCHEMBL8619737 0.73 KCNJ11 (0.45) KCNJ11ABCC9P2RX7

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 6 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