SCHEMBL7871072

SCHEMBL7871072

O=C(c1c(F)c(F)c(F)c(F)c1F)N1CC(CN2CCC(c3ccc(F)cc3)CC2)C(c2ccoc2)C1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.61

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
SCHEMBL7863212 0.89 CCR5 (0.58) CCR5
SCHEMBL7871965 0.88 CCR5 (0.64) CCR5
SCHEMBL7863124 0.85 CCR5 (0.60) CCR5
SCHEMBL7871194 0.84 CCR5 (0.61) CCR5
SCHEMBL7869846 0.84 CCR5 (0.71) CCR5
SCHEMBL7870905 0.84 CCR5 (0.71) CCR5
SCHEMBL7871856 0.76 CCR5 (0.62) CCR5
SCHEMBL7823749 0.76 CCR5 (1.00) CCR5
SCHEMBL7874883 0.76 CCR5 (0.82) CCR5
SCHEMBL7829490 0.76 CCR5 (0.85) 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 2 patents. 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 claimed
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