SCHEMBL7241878

SCHEMBL7241878

Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CCC(NC(=O)C1CCC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 19/20 1.00
▸ KCNH2 Q12809 4/20 0.87
▸ CYP3A4 P08684 1/20 0.59
▸ ADRA2A P08913 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ KCNE1 P15382 1/20 0.59
▸ OPRM1 P35372 1/20 0.59
▸ KCNQ1 P51787 1/20 0.59
▸ SLC47A1 Q96FL8 1/20 0.59

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
SCHEMBL1573831 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL1574386 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL7244123 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL7241883 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL30746693 1.00 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Hydrochloric Acid SCHEMBL1574201 0.99 CCR5 (0.98) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Hydrochloric Acid SCHEMBL1574200 0.99 CCR5 (0.98) CCR5KCNH2CYP3A4ADRA2ACYP2C9
Oxogranatane SCHEMBL1574128 0.93 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL7237629 0.93 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9
SCHEMBL1573985 0.93 CCR5 (1.00) CCR5KCNH2CYP3A4ADRA2ACYP2C9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190314371-A1 USE OF MODULATORS OF CCR5 IN THE TREATMENT OF CANCER AND CANCER METASTASIS PESTELL RICHARD G (US) 2019-10-17 — — US claimed
US-20170231991-A1 Use Of Modulators Of CCR5 In The Treatment Of Cancer And Cancer Metastasis NIH-DEITR 2017-08-17 — — US claimed
US-20130303512-A1 Use of modulators of CCR5 in the treatment of Cancer and cancer metastasis PESTELL, RICHARD G. 2013-11-14 — — US claimed
US-6586430-B1 Administering azabicyclo compounds to treat human immunodeficiency virus infections and respiratory system disorders PFIZER INC. 2003-07-01 — — US claimed
US-11633397-B2 Use of modulators of CCR5 in the treatment of cancer and cancer metastasis PESTELL RICHARD G (US) 2023-04-25 — — US disclosed
US-20200360380-A1 CANCERS EXPRESSING CCR5 AND METHODS OF TREATMENT OF SAME THOMAS JEFFERSON UNIVERSITY (US) 2020-11-19 — — US disclosed
US-20190314371-A1 USE OF MODULATORS OF CCR5 IN THE TREATMENT OF CANCER AND CANCER METASTASIS PESTELL RICHARD G (US) 2019-10-17 — — US disclosed
US-20180303830-A1 CANCERS EXPRESSING CCR5 AND METHODS OF TREATMENT OF SAME THOMAS JEFFERSON UNIVERSITY (US) 2018-10-25 — — US disclosed
US-20170231991-A1 Use Of Modulators Of CCR5 In The Treatment Of Cancer And Cancer Metastasis NIH-DEITR 2017-08-17 — — US disclosed
WO-2016209926-A1 CANCERS EXPRESSING CCR5 AND METHODS OF TREATMENT OF SAME THOMAS JEFFERSON UNIVERSITY (US) 2016-12-29 — — WO disclosed
US-9453836-B2 Use of modulators of CCR5 in the treatment of cancer and cancer metastasis PESTELL, RICHARD G. 2016-09-27 — — US disclosed
US-20130303512-A1 Use of modulators of CCR5 in the treatment of Cancer and cancer metastasis PESTELL, RICHARD G. 2013-11-14 — — US disclosed
US-20010039026-A1 Assay method PFIZER INC. 2001-11-08 — — US disclosed
EP-1118858-A2 Assay method Pfizer Limited (GB) 2001-07-25 — — EP disclosed
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