SCHEMBL17350643

SCHEMBL17350643

CC(C)(C)Oc1ccc(C(=O)N2C3CCC2CC(c2ccc(F)cc2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
PARP10 Q53GL7 2/20 0.45
SLC18A3 Q16572 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HSD11B1 P28845 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPC6 Q9Y210 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 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
SCHEMBL10243735 1.00 POLB (0.45) POLBPARP10SLC18A3SIGMAR1HSD11B1
SCHEMBL17350908 0.87 ALDH1A1 (0.53) POLBPARP10SLC18A3SIGMAR1HSD11B1
SCHEMBL10243899 0.87 ALDH1A1 (0.53) POLBPARP10SLC18A3SIGMAR1HSD11B1
SCHEMBL10243662 0.87 HSD11B1 (0.47) PARP10SLC18A3SIGMAR1HSD11B1HRH3
SCHEMBL17350615 0.87 HSD11B1 (0.47) PARP10SLC18A3SIGMAR1HSD11B1HRH3
SCHEMBL17350984 0.86 POLB (0.57) POLBPARP10SLC18A3SIGMAR1HSD11B1
SCHEMBL10243883 0.86 POLB (0.57) POLBPARP10SLC18A3SIGMAR1HSD11B1
SCHEMBL10243880 0.83 POLB (0.51) POLBPARP10SLC18A3SIGMAR1HSD11B1
SCHEMBL17350934 0.83 POLB (0.51) POLBPARP10SLC18A3SIGMAR1HSD11B1
SCHEMBL10243827 0.83 POLB (0.51) POLBPARP10SLC18A3SIGMAR1HSD11B1

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-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP disclosed