SCHEMBL13069028

SCHEMBL13069028

CBc1cccc(Cn2cc(C(=O)N(C)OC)c(=O)c3ccccc32)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.48
CHRM1 P11229 1/20 0.44
LMNA P02545 1/20 0.42
CNR2 P34972 5/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 2/20 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
SCHEMBL1019317 0.88 ACKR3 (0.52) ACKR3CHRM1LMNACNR2MAPT
SCHEMBL12707429 0.87 ACKR3 (0.48) ACKR3CHRM1LMNACNR2MAPT
SCHEMBL1019939 0.87 ACKR3 (0.63) ACKR3CHRM1LMNACNR2MAPT
SCHEMBL13069582 0.82 ACKR3 (0.57) ACKR3LMNACNR2MAPTTP53
SCHEMBL12707327 0.82 ACKR3 (0.52) ACKR3CHRM1CNR2MAPTTP53
SCHEMBL14535528 0.78 ACKR3 (0.52) ACKR3LMNACNR2MAPTTP53
SCHEMBL12707401 0.77 ACKR3 (0.48) ACKR3CHRM1LMNACNR2MAPT
SCHEMBL12707262 0.77 ACKR3 (0.46) ACKR3CHRM1LMNACNR2MAPT
SCHEMBL1549337 0.76 CHRM1 (0.74) CHRM1LMNAMAPT
SCHEMBL13069569 0.76 ACKR3 (0.52) ACKR3LMNACNR2MAPTTP53

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-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed