SCHEMBL7869988

SCHEMBL7869988

O=C(c1ccccc1)N1CC(CN2CCC(O)(CCCc3ccccc3)CC2)C(c2ccsc2)C1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.60

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
SCHEMBL7869738 0.94 CCR5 (0.56) CCR5
SCHEMBL7868344 0.94 CCR5 (0.56) CCR5
SCHEMBL7863134 0.94 CCR5 (0.56) CCR5
SCHEMBL7868270 0.94 CCR5 (0.56) CCR5
SCHEMBL7863277 0.92 CCR5 (0.55) CCR5
SCHEMBL7871200 0.92 CCR5 (0.53) CCR5
SCHEMBL7863218 0.92 CCR5 (0.53) CCR5
SCHEMBL7871127 0.91 CCR5 (0.53) CCR5
SCHEMBL7871167 0.91 CCR5 (0.54) CCR5
SCHEMBL7871264 0.91 CCR5 (0.53) 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 3 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
WO-2000051608-A1 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 WO disclosed