SCHEMBL3722657

SCHEMBL3722657

O=C(O)NCC1CC2(CCN(c3ccc4cc(Cl)ccc4n3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
HTR3A P46098 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
P2RX7 Q99572 8/20 0.46
MCHR1 Q99705 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ACACB O00763 1/20 0.40
HTR1A P08908 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
FAAH O00519 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
SCHEMBL3726892 0.88 HRH3 (0.48) HRH3P2RX7PDE10AHTR1A
SCHEMBL1728851 0.86 HRH3 (0.58) HRH3HTR3AHRH4P2RX7MCHR1
SCHEMBL3730691 0.84 HRH3 (0.53) HRH3HTR3AHRH4P2RX7MCHR1
SCHEMBL3723428 0.84 HRH3 (0.44) HRH3P2RX7MCHR1PDE10AHTR1A
SCHEMBL9994794 0.79 HRH3 (0.49) HRH3HTR3AHRH4P2RX7MCHR1
SCHEMBL346050 0.78 HRH3 (0.56) HRH3HTR3AHRH4P2RX7MCHR1
SCHEMBL9993125 0.78 HRH3 (0.61) HRH3HTR3AHRH4PDE10AACACB
SCHEMBL9993658 0.74 HRH3 (0.38) HRH3HTR3AHRH4P2RX7MCHR1
SCHEMBL9993011 0.73 HRH3 (0.39) HRH3HTR3AHRH4P2RX7MCHR1
SCHEMBL9994915 0.73 HRH3 (0.41) HRH3HTR3AHRH4P2RX7MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393809-B1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
EP-2393809-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089510-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-12 WO disclosed