SCHEMBL6661392

SCHEMBL6661392

N#CC(CCN1CCC(O)(c2ccccc2O)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 3/20 0.77
CCR1 P32246 12/20 0.69
CCR3 P51677 1/20 0.60
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 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
SCHEMBL11601787 0.87 KCNA3 (1.00) KCNA3CCR1CCR3
SCHEMBL2312804 0.82 CCR1 (1.00) KCNA3CCR1CCR3
Hydrochloric Acid SCHEMBL11629523 0.81 CCR1 (0.98) KCNA3CCR1CCR3
SCHEMBL9107132 0.80 KCNA3 (0.86) KCNA3CCR1CCR3
SCHEMBL6663692 0.79 KCNA3 (0.58) KCNA3CCR1CCR3RAB9ANPSR1
SCHEMBL11732757 0.78 KCNA3 (0.81) KCNA3CCR1CCR3
SCHEMBL12265183 0.77 KCNA3 (0.73) KCNA3CCR1RAB9ANPSR1
Hydrochloric Acid SCHEMBL11628063 0.77 KCNA3 (0.94) KCNA3CCR1CCR3RAB9ANPSR1
SCHEMBL11625051 0.77 KCNA3 (1.00) KCNA3CCR1CCR3RAB9ANPSR1
Difenoxin SCHEMBL123801 0.77 KCNA3 (0.78) KCNA3CCR1CCR3RAB9ANPSR1

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-1097924-B1 4-hydroxy-4-phenylpiperidine derivatives having opioid agonist activity and pharmaceuticals containing the same SSP CO LTD (JP) 2004-08-25 EP disclosed
US-6362203-B1 ANALGESICS SSP CO., LTD (JP) 2002-03-26 US disclosed
EP-1097924-A1 4-hydroxy-4-phenylpiperidine derivatives having -opioid agonist activity and pharmaceuticals containing the same SSP Co., Ltd. (JP) 2001-05-09 EP disclosed