SCHEMBL7085853

SCHEMBL7085853

O=C1Cc2ccccc2CN1CCN1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.55
HTR1A P08908 4/20 0.48
HTR1B P28222 2/20 0.48
HTR1D P28221 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR2C P28335 1/20 0.46
ACHE P22303 1/20 0.45
SORD Q00796 1/20 0.45
HTR7 P34969 2/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL6714657 0.87 HRH4 (0.55) HRH4HTR1AHTR1BHTR1DSLC6A4
SCHEMBL6715832 0.83 HTR1A (0.63) HRH4HTR1AHTR1BHTR1DSLC6A4
SCHEMBL6719110 0.82 DRD3 (0.59) HRH4HTR1ADRD3
SCHEMBL7078939 0.80 DRD3 (0.60) HRH4HTR1AHTR7DRD3
Hydrochloric Acid SCHEMBL6714590 0.79 DRD3 (0.59) HRH4HTR1AHTR7DRD3
SCHEMBL6715989 0.77 DRD2 (0.59) HRH4HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6714596 0.77 HRH4 (0.56) HRH4HTR1AHTR1BHTR1DSLC6A4
SCHEMBL7560710 0.76 HRH4 (0.58) HRH4HTR1AHTR2CHTR7
SCHEMBL6711688 0.76 HRH4 (0.52) HRH4HTR1AHTR1BHTR1DSLC6A4
SCHEMBL6715613 0.76 HTR1A (0.49) HRH4HTR1AHTR1BHTR1DSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296954-A1 BICYCLIC LACTAMS AND SULFONAMIDES WITH 5-HT1A-AFFINITY AND USE THEREOF FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA Abbott GmbH & Co. KG (DE) 2003-04-02 EP disclosed
WO-2002002529-A1 BICYCLIC LACTAMS AND SULFONAMIDES WITH 5-HT1A-AFFINITY AND USE THEREOF FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA ABBOTT GMBH & CO. KG (DE) 2002-01-10 WO disclosed