SCHEMBL6586353

SCHEMBL6586353

O=C(CCl)N1CCN(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.66
GRIN2B Q13224 1/20 0.51
MCHR1 Q99705 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL3592480 0.85 FAAH (0.74) FAAHGRIN2BMCHR1HTR1AHTR7
SCHEMBL15217937 0.84 FAAH (0.69) FAAHGRIN2BMCHR1HTR1AHTR7
SCHEMBL1331198 0.83 FAAH (0.65) FAAHMCHR1HTR1AHTR7MEN1
SCHEMBL17289123 0.83 FAAH (0.65) FAAHMCHR1HTR1AHTR7MEN1
SCHEMBL21043948 0.80 FAAH (0.67) FAAHGRIN2BMCHR1HTR1AHTR7
SCHEMBL30218414 0.80 FAAH (0.67) FAAHGRIN2BMCHR1HTR1AHTR7
SCHEMBL3600412 0.80 FAAH (1.00) FAAHKDM4E
SCHEMBL13705800 0.79 FAAH (0.69) FAAHGRIN2BMCHR1HTR1AHTR7
Hydrochloric Acid SCHEMBL3603022 0.79 FAAH (0.98) FAAHKDM4E
SCHEMBL6584608 0.78 FAAH (0.60) FAAHGRIN2BMCHR1ALDH1A1HTR1A

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
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
US-6127360-A ANTIHISTAMINES, ANTILEUKOTRIENES, ANTIINFLAMMATORY AGENTS, ANTIASTHMATIC AGENTS KOWA CO., LTD. (JP) 2000-10-03 US disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed
EP-0706517-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-04-17 EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed