SCHEMBL7669477

SCHEMBL7669477

Cc1cccc2cccc(CN3CCN(CCSCc4cccc(CN5CCCCC5)c4)C3=C(C#N)C#N)c12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.49
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLPP Q16740 1/20 0.33
PRMT6 Q96LA8 1/20 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
SCHEMBL7666194 0.91 HRH3 (0.47) HRH3PRMT6
SCHEMBL7663832 0.87 HRH3 (0.66) HRH3TSHR
SCHEMBL7667123 0.82 HRH3 (0.45) HRH3TSHR
SCHEMBL7658659 0.80 HRH3 (0.68) HRH3TSHR
SCHEMBL7667137 0.80 HRH3 (0.48) HRH3
SCHEMBL7662367 0.78 HRH3 (0.38) HRH3PRMT6
SCHEMBL7665528 0.77 HRH3 (0.46) HRH3
SCHEMBL7666593 0.76 HRH3 (0.71) HRH3TP53TSHR
SCHEMBL7664837 0.75 HRH3 (0.48) HRH3
SCHEMBL7655572 0.73 PRMT6 (0.38) HRH3PRMT6

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-6495569-B1 CHEMOKINE ANTAGONISTS; TREATING DISEASE ASSOCIATED WITH INFLAMMATION AND/OR PATHOGENIC LEUKOCYTE RECRUITMENT AND/OR ACTIVATION MILLENNIUM PHARMACEUTICALS, INC. 2002-12-17 US disclosed