SCHEMBL7654628

SCHEMBL7654628

CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CO)[C@@H](c2cccc(F)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.57
KCNH2 Q12809 3/20 0.57

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
SCHEMBL7662342 1.00 CCR5 (0.57) CCR5KCNH2
SCHEMBL7504832 1.00 CCR5 (0.57) CCR5KCNH2
SCHEMBL7943345 0.90 CCR5 (0.56) CCR5KCNH2
SCHEMBL7497637 0.90 CCR5 (0.56) CCR5KCNH2
SCHEMBL7943248 0.90 CCR5 (0.56) CCR5KCNH2
SCHEMBL7507523 0.90 CCR5 (0.56) CCR5KCNH2
SCHEMBL7943246 0.90 CCR5 (0.56) CCR5KCNH2
SCHEMBL7661815 0.84 CCR5 (0.51) CCR5KCNH2
SCHEMBL7498561 0.84 CCR5 (0.51) CCR5KCNH2
SCHEMBL7658122 0.84 CCR5 (0.51) CCR5KCNH2

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-6498161-B1 TREATING INFECTION BY HIV; DELAYING OF THE ONSET OF AIDS; ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS MERCK & CO., INC. 2002-12-24 US disclosed
US-6399619-B1 PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV MERCK & CO., INC. 2002-06-04 US disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed