SCHEMBL7420548

SCHEMBL7420548

O=C1C[C@H](OCc2ccccc2)CN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.43
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
HTT P42858 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
DPP4 P27487 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL2173563 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL7442302 0.90 MAOB (0.55) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL19885198 0.84 CARM1 (0.41) MAOBCARM1PRMT6
SCHEMBL18472041 0.84 CARM1 (0.41) MAOBCARM1PRMT6
SCHEMBL21026697 0.84 CARM1 (0.41) MAOBCARM1PRMT6
SCHEMBL425330 0.77 CTSL (0.50) CTSLCTSBCTSKPSEN1PSEN2
SCHEMBL581885 0.74 CTSL (0.51) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL16699631 0.74 LMNA (0.55) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL4059320 0.74 CREBBP (0.45) CTSLCTSBCTSKLMNAPSEN1
SCHEMBL3740260 0.74 HRH1 (0.47) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944587-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2002-03-20 EP disclosed
EP-0944587-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP disclosed
US-5840974-A Metalloproteinase inhibitors BRITISCH BIOTECH PHARMACEUTICALS, LTD. (GB) 1998-11-24 US disclosed
WO-1998024759-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-11 WO disclosed