SCHEMBL20124892

SCHEMBL20124892

CC(=O)Nc1ccc(F)cc1OC[C@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.51
LMNA P02545 2/20 0.47
CYP2D6 P10635 1/20 0.44
BRD4 O60885 3/20 0.43
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP19A1 P11511 1/20 0.40

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
SCHEMBL27546271 0.82 BRD4 (0.61) LMNACYP2D6BRD4RAB9AALDH1A1
SCHEMBL3860865 0.82 ALDH1A1 (0.54) CCR1RAB9AALDH1A1MAPT
SCHEMBL27566272 0.81 KDM4E (0.44) CCR1LMNACYP2D6BRD4ALDH1A1
SCHEMBL9197891 0.80 PKM (0.54) CCR1LMNABRD4RAB9AALDH1A1
SCHEMBL24535027 0.79 LMNA (0.48) CCR1LMNABRD4ALDH1A1
SCHEMBL6215373 0.79 ALDH1A1 (0.50) CCR1LMNABRD4RAB9AALDH1A1
SCHEMBL27524695 0.79 BRD4 (0.47) CCR1LMNABRD4ALDH1A1MAPT
SCHEMBL4796147 0.77 ALDH1A1 (0.59) ALDH1A1MAPT
SCHEMBL29760424 0.77 ALDH1A1 (0.59) ALDH1A1MAPT
SCHEMBL8926580 0.77 BRD4 (0.74) LMNABRD4RAB9ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970275-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-05-09 EP disclosed
CN-1326858-C tricyclic spiropiperidine compounds ASTRAZENECA AB (SE) 2007-07-18 CN disclosed
CN-1974574-A Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2007-06-06 CN disclosed
CN-1894232-A Novel tricyclic spiroderivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-01-10 CN disclosed
CN-1675218-A Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-09-28 CN disclosed