SCHEMBL7657040

SCHEMBL7657040

CCNCCN1CCN(Cc2cc(C)cc(C)c2)C1=C(C#N)C#N

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.39
THRB P10828 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
SCHEMBL7662241 0.82 HRH3 (0.42) HRH3
SCHEMBL6739645 0.79 HRH3 (0.40) HRH3
SCHEMBL6735212 0.79 KAT2B (0.38) HRH3
SCHEMBL7654001 0.74 HRH3 (0.64) HRH3
SCHEMBL7665084 0.73 HRH3 (0.34) HRH3
SCHEMBL7656218 0.70 HRH3 (0.47) HRH3
SCHEMBL6734463 0.68 ACKR3 (0.44)
SCHEMBL7655220 0.68 HRH3 (0.39) HRH3
SCHEMBL7657968 0.67 KMT2A (0.32)
SCHEMBL6733915 0.64 HRH3 (0.40) 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
WO-2002085861-A1 IMIDAZOLIDINE COMPOUNDS AND THEIR USE AS CXCR3 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-31 WO disclosed
US-6469002-B1 COMPOUNDS WHICH MODULATE CHEMOKINE RECEPTOR ACTIVITY AND ARE USEFUL IN TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. 2002-10-22 US disclosed