SCHEMBL7666194

SCHEMBL7666194

Cc1cccc(CN2CCN(CCSCc3cccc(CN4CCCCC4)c3)C2=C(C#N)C#N)c1C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.47
PRMT6 Q96LA8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7669477 0.91 HRH3 (0.49) HRH3PRMT6
SCHEMBL7663832 0.86 HRH3 (0.66) HRH3
SCHEMBL7667123 0.84 HRH3 (0.45) HRH3SMN1; SMN2
SCHEMBL7667137 0.82 HRH3 (0.48) HRH3CYP2D6CYP2C9HIF1AALDH1A1
SCHEMBL7658659 0.79 HRH3 (0.68) HRH3
SCHEMBL6740296 0.77 HRH3 (0.44) HRH3CYP2D6CYP2C9HIF1A
SCHEMBL7665528 0.76 HRH3 (0.46) HRH3
SCHEMBL7655572 0.75 PRMT6 (0.38) HRH3PRMT6SMN1; SMN2TDP1CYP2D6
SCHEMBL7666593 0.75 HRH3 (0.71) HRH3
SCHEMBL7664837 0.74 HRH3 (0.48) HRH3

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 2 patents. 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
WO-2002085862-A1 IMIDAZOLIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-31 WO disclosed