SCHEMBL8189356

SCHEMBL8189356

O=C(NC1CCN(CC2CCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 1.00
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52

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
SCHEMBL8190177 1.00 CCR1 (1.00) CCR1CHRM2CHRM1CHRM3
SCHEMBL8184988 1.00 CCR1 (1.00) CCR1CHRM2CHRM1CHRM3
SCHEMBL8186702 1.00 CCR1 (1.00) CCR1CHRM2CHRM1CHRM3
SCHEMBL8185878 0.91 CCR1 (0.83) CCR1
SCHEMBL8185849 0.91 CCR1 (0.91) CCR1
SCHEMBL8191000 0.90 CCR1 (0.81) CCR1
SCHEMBL8184860 0.89 CCR1 (0.80) CCR1CHRM2CHRM1CHRM3
SCHEMBL8184851 0.89 CCR1 (0.79) CCR1
SCHEMBL8184431 0.88 CCR1 (0.77) CCR1
SCHEMBL8184490 0.88 CCR1 (0.77) CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US claimed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP claimed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed