SCHEMBL7612596

SCHEMBL7612596

Cc1cn(Nc2ccncc2Cl)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.62
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
TGFBR1 P36897 7/20 0.37
TGFBR2 P37173 5/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
TOP2A P11388 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
Hydrochloric Acid SCHEMBL7614144 0.99 SLC6A2 (0.60) SLC6A2BCHEACHETGFBR1TGFBR2
SCHEMBL8442016 0.87 SLC6A2 (0.67) SLC6A2BCHEACHEPTGS1PTGS2
SCHEMBL13570032 0.84 SLC6A2 (0.62) SLC6A2BCHEACHETGFBR1TOP2A
SCHEMBL5011830 0.84 SLC6A2 (0.62) SLC6A2BCHEACHETGFBR1TGFBR2
SCHEMBL7611582 0.77 SLC6A2 (1.00) SLC6A2BCHEACHE
SCHEMBL10402431 0.75 SLC6A2 (0.57) SLC6A2TGFBR1TGFBR2
Hydrochloric Acid SCHEMBL10403490 0.74 SLC6A2 (0.56) SLC6A2TGFBR1TGFBR2
SCHEMBL7609238 0.73 SLC6A2 (0.59) SLC6A2TGFBR1TGFBR2
Hydrochloric Acid SCHEMBL7611628 0.72 SLC6A2 (0.57) SLC6A2TGFBR1TGFBR2
SCHEMBL9445638 0.72 SLC6A2 (0.65) SLC6A2BCHEACHETGFBR1TGFBR2

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
EP-0840609-B1 USE OF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS AVENTIS PHARMA INC (US) 2002-06-05 EP claimed
US-5776955-A Use of unsubstituted and substituted n-(pyrrol-1-yl)pyridinamines as anticonvulsant agents HOECHST MARION ROUSSEL, INC. 1998-07-07 US claimed
EP-0840609-A1 USE OF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-05-13 EP claimed
WO-1997004777-A1 USE OFF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-02-13 WO claimed
US-4970218-A ANALGESIC, ANTIDEPRESSANT, MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US claimed
EP-0840609-B1 USE OF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS AVENTIS PHARMA INC (US) 2002-06-05 EP disclosed
EP-0635269-B1 Use of N-(Pyridinyl)-1H-Indol-1-Amines for the preparation of a medicament for the treatment of obsessive-compulsive disorders HOECHST MARION ROUSSEL INC (US) 1999-11-03 EP disclosed
US-5776955-A Use of unsubstituted and substituted n-(pyrrol-1-yl)pyridinamines as anticonvulsant agents HOECHST MARION ROUSSEL, INC. 1998-07-07 US disclosed
EP-0840609-A1 USE OF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-05-13 EP disclosed
WO-1997004777-A1 USE OFF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-02-13 WO disclosed
EP-0635269-A1 Use of N-(Pyridinyl)-1H-Indol-1-Amines for the preparation of a medicament for the treatment of obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-01-25 EP disclosed
US-5356910-A Use of N-(pyridinyl)-1H-indol-1-amines for the treatment of obsessive-compulsive disorder HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-10-18 US disclosed
US-5039811-A Analgesics, antidepressants, memory activators; condensation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-13 US disclosed
US-4970218-A ANALGESIC, ANTIDEPRESSANT, MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US disclosed