SCHEMBL18199142

SCHEMBL18199142

CC(C)(CCCCCO)c1ccc2c(c1)CCNC2=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.48
▸ CNR2 P34972 4/20 0.48
▸ PARP10 Q53GL7 11/20 0.48
▸ PARP11 Q9NR21 10/20 0.48
▸ PARP1 P09874 3/20 0.42
▸ GRM5 P41594 4/20 0.41
▸ PDPK1 O15530 1/20 0.39

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
SCHEMBL1726570 0.81 PARP10 (0.48) PARP10PARP11PARP1GRM5PDPK1
SCHEMBL1725257 0.77 PARP10 (0.59) PARP10PARP11PARP1GRM5PDPK1
SCHEMBL1432009 0.77 PARP10 (0.63) PARP10PARP11PARP1GRM5PDPK1
SCHEMBL1727568 0.73 PARP10 (0.58) PARP10PARP11PARP1GRM5PDPK1
SCHEMBL10387824 0.73 CNR1 (0.56) CNR1CNR2
SCHEMBL10388169 0.73 CNR1 (0.56) CNR1CNR2
SCHEMBL793156 0.71 PARP10 (0.77) PARP10PARP11PARP1GRM5PDPK1
SCHEMBL1726500 0.71 PARP10 (0.55) PARP10PARP11PARP1GRM5PDPK1
SCHEMBL10387261 0.70 NPC1 (0.63) CNR1CNR2
SCHEMBL30549705 0.70 PARP10 (0.68) PARP10PARP11PARP1GRM5PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 — — EP disclosed
Send feedback