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Tolafentrine

Tolafentrine

SCHEMBL4450984

COc1cc2c(cc1OC)[C@H]1CN(C)CC[C@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 1.00
▸ PDE4A P27815 1/20 0.55
▸ PDE4B Q07343 1/20 0.55
▸ PDE4C Q08493 1/20 0.55
▸ GHSR Q92847 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HTR1D P28221 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ PKM P14618 2/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
Tolafentrine SCHEMBL159331 1.00 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CGHSR
Tolafentrine SCHEMBL8326829 1.00 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CGHSR
Tolafentrine SCHEMBL29992625 1.00 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL7211678 0.94 PDE4D (0.89) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL7210124 0.94 PDE4D (0.89) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL8326816 0.93 PDE4D (0.87) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL8326810 0.93 PDE4D (0.87) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7356403 0.92 PDE4D (0.86) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL7356412 0.92 PDE4D (0.86) PDE4DPDE4APDE4BPDE4CGHSR
SCHEMBL7215044 0.91 PDE4D (0.83) PDE4DPDE4APDE4BPDE4CGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507707-B2 Methods of inducing ovulation using a non-polypeptide camp level modulator LABORATOIRES SERONO SA (CH) 2009-03-24 — — US claimed
JP-3238397-B2 — — 2001-12-10 — — JP claimed
EP-0528922-B1 NEW SULFONYL COMPOUNDS BYK GULDEN LOMBERG CHEM FAB (DE) 1999-06-16 — — EP claimed
US-5346904-A BRONCHODILATOR AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-09-13 — — US claimed
EP-0528922-A1 NEW SULFONYL COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-03-03 — — EP claimed
WO-1991017991-A1 NEW SULFONYL COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-11-28 — — WO claimed
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 — — EP disclosed
US-7507707-B2 Methods of inducing ovulation using a non-polypeptide camp level modulator LABORATOIRES SERONO SA (CH) 2009-03-24 — — US disclosed
EP-0988302-B1 BENZONAPHTHYRIDINES ALTANA PHARMA AG (DE) 2003-02-19 — — EP disclosed
US-6384047-B1 BREATHING DISORDERS AND HYPOTENSIVE AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-07 — — US disclosed
EP-0528922-B1 NEW SULFONYL COMPOUNDS BYK GULDEN LOMBERG CHEM FAB (DE) 1999-06-16 — — EP disclosed
US-5346904-A BRONCHODILATOR AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-09-13 — — US disclosed
EP-0528922-A1 NEW SULFONYL COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-03-03 — — EP disclosed
WO-1991017991-A1 NEW SULFONYL COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-11-28 — — WO disclosed