SCHEMBL8623172

SCHEMBL8623172

N#CN(C(=N)Nc1ccc(NCCF)nc1)C1(c2ccccc2)CCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
OPRM1 P35372 2/20 0.31
DGAT1 O75907 1/20 0.30
OPRL1 P41146 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
SCHEMBL7354766 0.75 HDAC3 (0.33) DGAT1
SCHEMBL8619031 0.75 HDAC3 (0.33) DGAT1
SCHEMBL7354769 0.73 P2RX7 (0.38) MEN1KMT2ADGAT1
SCHEMBL8623005 0.70
SCHEMBL8623002 0.70
SCHEMBL8621557 0.65 DGAT1 (0.35) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL8621555 0.65 DGAT1 (0.35) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL8620022 0.63 HRH4 (0.40) MEN1KMT2A
SCHEMBL8620026 0.62 HRH4 (0.50)
SCHEMBL8619788 0.61 HDAC3 (0.35) MEN1NPC1RAB9AKMT2AHSD17B10

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 1 patent. 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