SCHEMBL10979271

SCHEMBL10979271

C1=NN(c2cccnn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.35
RIPK1 Q13546 1/20 0.35
TRPV1 Q8NER1 2/20 0.32
TP53 P04637 1/20 0.31
GOT1 P17174 1/20 0.31

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
SCHEMBL7787172 0.76 PLD1 (0.46) TP53
SCHEMBL18920853 0.70 SLC6A7 (0.41) SLC6A7RIPK1TRPV1GOT1
SCHEMBL2001725 0.69 SLC6A7 (0.47) SLC6A7RIPK1TRPV1
SCHEMBL12607645 0.68 SLC6A7 (0.49) SLC6A7RIPK1TRPV1
SCHEMBL31005942 0.68 SLC6A7 (0.49) SLC6A7RIPK1TRPV1
SCHEMBL1834829 0.67 CYP1A2 (0.50) SLC6A7RIPK1TRPV1
SCHEMBL11401374 0.66 TP53 (0.47) TP53
SCHEMBL44773 0.66 TP53 (0.48) TP53
SCHEMBL2000100 0.66 HTR3E (0.54) SLC6A7RIPK1TRPV1
SCHEMBL27739674 0.66 PLD1 (0.36) SLC6A7TRPV1

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-4503056-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1985-03-05 US disclosed