SCHEMBL8624548

SCHEMBL8624548

Cc1nc(N=C=O)n(C2CCNCC2)c1C1CCN(CC(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
OPRL1 P41146 2/20 0.32
OGFRL1 Q5TC84 2/20 0.32

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
Hydrochloric Acid SCHEMBL8624336 0.88 CCNT1 (0.35) CCNT1CDK9
SCHEMBL8624545 0.78 CCNT1 (0.32) TLR9TLR8TLR7CCNT1CDK9
SCHEMBL8622811 0.69 OPRL1 (0.35) OPRL1OGFRL1
Hydrochloric Acid SCHEMBL8624335 0.67 CCNT1 (0.34) CCNT1CDK9
SCHEMBL3282448 0.62 SIGMAR1 (0.44)
SCHEMBL3087409 0.62 GNAI3 (0.45)
SCHEMBL3556743 0.59 ITGB3 (0.47)
SCHEMBL62990 0.57 HSD17B10 (0.52)
Tetraxetan SCHEMBL5149372 0.57 HSD17B10 (0.52)
SCHEMBL337070 0.57 HSD17B10 (0.52)

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
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed