SCHEMBL24266751

SCHEMBL24266751

Cc1cc(OCC2CCCCC2)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.48
PARP15 Q460N3 4/20 0.48
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
XDH P47989 2/20 0.44
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL24267466 0.87 SLC6A2 (0.44) PARP10PARP15SLC6A2SLC6A4SLC6A3
SCHEMBL24266948 0.82 HPGD (0.48) PARP10PARP15MAOAMAOBSLC6A2
SCHEMBL18722089 0.82 PARP10 (0.58) PARP10PARP15MAOAMAOBSLC6A2
SCHEMBL18617050 0.81 PARP10 (0.53) PARP10PARP15MAOAMAOB
SCHEMBL1390861 0.80 SLC6A2 (0.48) PARP10PARP15SLC6A2SLC6A4SLC6A3
SCHEMBL3727211 0.79 PARP10 (0.51) PARP10PARP15MAOAMAOB
SCHEMBL14553122 0.79 AR (0.47) MAOAMAOBMRGPRX4
SCHEMBL14858182 0.79 PARP10 (0.50) PARP10PARP15MAOAMAOB
SCHEMBL21694070 0.79 PARP10 (0.51) PARP10PARP15MAOAMAOB
SCHEMBL16255446 0.76 MRGPRX4 (0.51) MAOAMAOBMRGPRX4

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-3957633-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2022-02-23 EP disclosed