SCHEMBL7868299

SCHEMBL7868299

CC(Cc1ccccc1)CC1(O)CCN(CC2CN(Cc3ccccc3)CC2c2ccsc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.48
RORC P51449 1/20 0.38

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
SCHEMBL7863114 0.85 CCR5 (0.47) CCR5
SCHEMBL7868529 0.83 CCR5 (0.65) CCR5
SCHEMBL7871926 0.83 CCR5 (0.65) CCR5
SCHEMBL7874917 0.82 CCR5 (0.42) CCR5
SCHEMBL7870915 0.80 CCR5 (0.48) CCR5
SCHEMBL7870913 0.80 CCR5 (0.48) CCR5
SCHEMBL7869693 0.80 CCR5 (0.59) CCR5
SCHEMBL7863253 0.79 CCR5 (0.54) CCR5
SCHEMBL7874846 0.79 CCR5 (0.60) CCR5
SCHEMBL7871232 0.78 CCR5 (0.59) 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