SCHEMBL6584428

SCHEMBL6584428

O=CN1CCN(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.59
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
MCHR1 Q99705 1/20 0.45
DRD4 P21917 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
OPRL1 P41146 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL1331198 0.89 FAAH (0.65) FAAHHTR1AHTR7MCHR1DRD4
SCHEMBL17289123 0.89 FAAH (0.65) FAAHHTR1AHTR7MCHR1DRD4
SCHEMBL6584608 0.84 FAAH (0.60) FAAHHTR1AHTR7MCHR1DRD4
SCHEMBL1331611 0.81 FAAH (0.58) FAAHHTR1AHTR7MCHR1MEN1
SCHEMBL13041008 0.81 FAAH (0.58) FAAHHTR1AHTR7MCHR1MEN1
SCHEMBL1331766 0.81 HRH3 (0.63) FAAHHTR1AHTR7MCHR1DRD4
SCHEMBL17595034 0.80 FAAH (0.56) FAAHHTR1AHTR7MCHR1DRD4
SCHEMBL28824423 0.80 FAAH (0.56) FAAHHTR1AHTR7MCHR1DRD4
SCHEMBL30218414 0.79 FAAH (0.67) FAAHHTR1AHTR7MCHR1DRD4
SCHEMBL21043948 0.79 FAAH (0.67) FAAHHTR1AHTR7MCHR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102333568-A Pharmaceutical compounds BIAL PORTELA & CA SA 2012-01-25 CN claimed
CN-103140478-A Process for the synthesis of substituted urea compounds BIAL PORTELA & CA SA 2013-06-05 CN disclosed
CN-102333568-A Pharmaceutical compounds BIAL PORTELA & CA SA 2012-01-25 CN disclosed
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