SCHEMBL12707262

SCHEMBL12707262

Bc1cccc(Cn2cc(C(=C)N(C)OC)c(=O)c3ccccc32)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.46
CHRM1 P11229 1/20 0.41
CNR2 P34972 4/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL12707429 0.89 ACKR3 (0.48) ACKR3CHRM1CNR2LMNAMAPT
SCHEMBL12707401 0.89 ACKR3 (0.48) ACKR3CHRM1CNR2LMNAMAPT
SCHEMBL14535376 0.82 ACKR3 (0.52) ACKR3CHRM1CNR2LMNATP53
SCHEMBL14535521 0.78 ACKR3 (0.57) ACKR3CNR2LMNAMAPTTP53
SCHEMBL14535532 0.78 SMN1; SMN2 (0.59) ACKR3CHRM1CNR2LMNAMAPT
SCHEMBL1019317 0.78 ACKR3 (0.52) ACKR3CHRM1CNR2LMNAMAPT
SCHEMBL1019939 0.77 ACKR3 (0.63) ACKR3CHRM1CNR2LMNAMAPT
SCHEMBL14535523 0.77 MAPT (0.58) ACKR3CHRM1CNR2LMNAMAPT
SCHEMBL13069028 0.77 ACKR3 (0.48) ACKR3CHRM1CNR2LMNAMAPT
SCHEMBL13069127 0.76 CNR2 (0.58) ACKR3CHRM1CNR2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314590-A1 Substituted quinolones and methods of use ChemoCentryx, Inc. (US) 2011-04-27 EP disclosed
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed