SCHEMBL6971856

SCHEMBL6971856

O=C1CSc2ccccc2N1CCCCN1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
HTR7 P34969 2/20 0.50
HRH4 Q9H3N8 1/20 0.47
CHRM1 P11229 1/20 0.46

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
SCHEMBL6970561 0.98 CHRM1 (0.48) HTR1AHTR7HRH4CHRM1
SCHEMBL6715841 0.94 HRH4 (0.49) HTR1AHTR7HRH4
SCHEMBL6712910 0.84 DRD2 (0.48) HTR1AHTR7HRH4
SCHEMBL6977709 0.82 GRIN1 (0.66) HTR1AHTR7CHRM1
SCHEMBL6978625 0.80 GRIN1 (0.58) HTR1AHTR7HRH4CHRM1
SCHEMBL7082418 0.80 DRD2 (0.65) HTR1AHTR7CHRM1
SCHEMBL7084667 0.79 HRH4 (0.51) HTR1AHTR7HRH4
SCHEMBL6715832 0.76 HTR1A (0.63) HTR1AHTR7HRH4
SCHEMBL6715989 0.76 DRD2 (0.59) HTR1AHTR7HRH4CHRM1
SCHEMBL6973851 0.74 DRD2 (0.59) HTR1AHRH4

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