SCHEMBL7489372

SCHEMBL7489372

O=CC1CN(C(CC2CCC2)C(=O)O)CC1c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.57
KCNH2 Q12809 1/20 0.51

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
SCHEMBL7489378 1.00 CCR5 (0.57) CCR5KCNH2
SCHEMBL7489383 1.00 CCR5 (0.57) CCR5KCNH2
SCHEMBL7984280 0.98 CCR5 (0.55) CCR5KCNH2
SCHEMBL7493789 0.98 CCR5 (0.55) CCR5KCNH2
SCHEMBL7984278 0.98 CCR5 (0.55) CCR5KCNH2
SCHEMBL7660608 0.96 CCR5 (0.54) CCR5
SCHEMBL7492200 0.96 CCR5 (0.54) CCR5
SCHEMBL7660606 0.96 CCR5 (0.54) CCR5
SCHEMBL7661261 0.89 CCR5 (0.53) CCR5
SCHEMBL7983281 0.89 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 7 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
EP-1173170-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1173170-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-23 EP disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed