SCHEMBL6073531

SCHEMBL6073531

COC(=O)[C@@H]1CC[C@@H](C)N[C@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.47
SLC6A3 Q01959 4/20 0.47
SLC6A2 P23975 3/20 0.47
CYP2D6 P10635 2/20 0.46
ATM Q13315 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6074184 1.00 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2CYP2D6ATM
SCHEMBL8954369 0.81 HSD17B10 (0.46) SLC6A4SLC6A3SLC6A2CYP2D6ATM
SCHEMBL7433120 0.79 POLB (0.45) SLC6A4SLC6A3SLC6A2CYP2D6ATM
SCHEMBL7433127 0.79 POLB (0.45) SLC6A4SLC6A3SLC6A2CYP2D6ATM
SCHEMBL7433122 0.79 POLB (0.45) SLC6A4SLC6A3SLC6A2CYP2D6ATM
SCHEMBL8262931 0.79 SLC6A2 (0.49) SLC6A4SLC6A3SLC6A2CYP2D6CYP3A4
SCHEMBL27298881 0.77 SLC6A2 (0.50) SLC6A4SLC6A3SLC6A2CYP2D6CYP3A4
SCHEMBL7654723 0.77 SLC6A2 (0.50) SLC6A4SLC6A3SLC6A2CYP2D6CYP3A4
SCHEMBL9294530 0.77 SLC6A2 (0.50) SLC6A4SLC6A3SLC6A2CYP2D6CYP3A4
SCHEMBL2504396 0.76 HDAC4 (0.61) SLC6A4SLC6A3SLC6A2CYP2D6ATM

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
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed