SCHEMBL7875008

SCHEMBL7875008

O=C(c1cccc2ncn(CCO)c12)N1CC(CN2CCC(c3ccc(F)cc3)CC2)C(c2ccsc2)C1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.49

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
SCHEMBL7863177 1.00 CCR5 (0.49) CCR5
SCHEMBL7863175 1.00 CCR5 (0.49) CCR5
SCHEMBL7874860 0.91 CCR5 (0.51) CCR5
SCHEMBL7874863 0.91 CCR5 (0.51) CCR5
SCHEMBL7863065 0.91 CCR5 (0.51) CCR5
SCHEMBL7863066 0.91 CCR5 (0.51) CCR5
SCHEMBL7863007 0.89 CCR5 (0.48) CCR5
SCHEMBL7863010 0.89 CCR5 (0.48) CCR5
SCHEMBL7863154 0.89 CCR5 (0.49) CCR5
SCHEMBL7863158 0.89 CCR5 (0.49) CCR5

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-6303593-B1 FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS MERCK & CO., INC. 2001-10-16 US disclosed