Sugi Predict

Sugi Predict / Compounds / SCHEMBL7869961

SCHEMBL7869961

SCHEMBL7869961

CC(C)(C)OC(=O)Cn1cnc2cccc(C(=O)N3CC(CN4CCC(c5ccc(F)cc5)CC4)C(c4ccsc4)C3)c21

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 20/20 0.45

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
SCHEMBL7869964 1.00 CCR5 (0.45) CCR5
SCHEMBL7863007 0.93 CCR5 (0.48) CCR5
SCHEMBL7863010 0.93 CCR5 (0.48) CCR5
SCHEMBL7874860 0.90 CCR5 (0.51) CCR5
SCHEMBL7874863 0.90 CCR5 (0.51) CCR5
SCHEMBL7871716 0.90 CCR5 (0.45) CCR5
SCHEMBL7871715 0.90 CCR5 (0.45) CCR5
SCHEMBL7871138 0.88 CCR5 (0.46) CCR5
SCHEMBL7871945 0.88 CCR5 (0.46) CCR5
SCHEMBL7863175 0.87 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 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