SCHEMBL8442016

SCHEMBL8442016

Cc1cnccc1Nn1cc(C)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.67
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
TOP2A P11388 1/20 0.36
CYP11B2 P19099 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
GRM4 Q14833 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP2D6 P10635 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
SCHEMBL5011830 0.87 SLC6A2 (0.62) SLC6A2ACHEBCHETOP2ACYP11B2
SCHEMBL13570032 0.87 SLC6A2 (0.62) SLC6A2ACHEBCHETOP2ACYP11B2
SCHEMBL7612596 0.87 SLC6A2 (0.62) SLC6A2ACHEBCHETOP2APTGS1
Hydrochloric Acid SCHEMBL7614144 0.86 SLC6A2 (0.60) SLC6A2ACHEBCHETOP2APTGS1
SCHEMBL7611582 0.80 SLC6A2 (1.00) SLC6A2ACHEBCHECYP1A2
SCHEMBL10402431 0.78 SLC6A2 (0.57) SLC6A2
Hydrochloric Acid SCHEMBL10403490 0.77 SLC6A2 (0.56) SLC6A2
SCHEMBL7609735 0.77 SLC6A2 (0.59) SLC6A2PDE2APDE10A
SCHEMBL9445638 0.75 SLC6A2 (0.65) SLC6A2ACHEBCHECYP17A1CYP1A2
Oxalic Acid SCHEMBL7610219 0.73 SLC6A2 (0.84) SLC6A2ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4970218-A ANALGESIC, ANTIDEPRESSANT, MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US claimed
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 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
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 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