SCHEMBL14633680

SCHEMBL14633680

CC(=O)N[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CN(C(=O)O)CC3)C2)c1cccc(F)c1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 12/20 0.86
▸ KCNH2 Q12809 8/20 0.80

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
SCHEMBL14633678 1.00 CCR5 (0.86) CCR5KCNH2
SCHEMBL2575130 0.94 KCNH2 (0.90) CCR5KCNH2
SCHEMBL2575126 0.94 KCNH2 (0.90) CCR5KCNH2
SCHEMBL1198671 0.93 CCR5 (1.00) CCR5KCNH2
SCHEMBL30227339 0.93 CCR5 (1.00) CCR5KCNH2
SCHEMBL1198672 0.93 CCR5 (1.00) CCR5KCNH2
SCHEMBL30227452 0.93 CCR5 (0.89) CCR5KCNH2
SCHEMBL13719481 0.92 CCR5 (0.91) CCR5KCNH2
SCHEMBL4020105 0.92 CCR5 (0.89) CCR5KCNH2
SCHEMBL4020109 0.92 CCR5 (0.89) 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
EP-2741777-B1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PULMONARY HYPERTENSION INSERM - INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2017-01-18 — — EP claimed
US-20130023496-A1 Combination Therapy Comprising A CCR5 Antagonist, A HIV-1 Protease Inhibtior and a Pharmacokinetic Enhancer PHIVCO-1 LLC 2013-01-24 — — US claimed
US-20130023496-A1 Combination Therapy Comprising A CCR5 Antagonist, A HIV-1 Protease Inhibtior and a Pharmacokinetic Enhancer PHIVCO-1 LLC 2013-01-24 — — US disclosed
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