SCHEMBL701116

SCHEMBL701116

O=C(O)c1cccc2c1c(CCNC1CN3CCC1CC3)nn2Cc1ccccc1.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
RORC P51449 1/20 0.37
CHRNA7 P36544 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL4328332 0.99 HTR3A (0.45) HTR3ASIGMAR1RORCCHRNA7USP30
SCHEMBL699893 0.99 HTR3A (0.45) HTR3ASIGMAR1RORCCHRNA7USP30
SCHEMBL699894 0.99 HTR3A (0.45) HTR3ASIGMAR1RORCCHRNA7USP30
Lithium Ion SCHEMBL702639 0.91 HTR3A (0.43) HTR3ASIGMAR1CHRNA7USP30
Lithium Ion SCHEMBL701115 0.91 HTR3A (0.43) HTR3ASIGMAR1CHRNA7USP30
SCHEMBL702083 0.91 HTR3A (0.45) HTR3ARORCCHRNA7USP30
SCHEMBL701557 0.91 HTR3A (0.42) HTR3ASIGMAR1
SCHEMBL700053 0.91 HTR3A (0.42) HTR3ASIGMAR1
SCHEMBL700054 0.91 HTR3A (0.42) HTR3ASIGMAR1
SCHEMBL701109 0.90 HTR3A (0.46) HTR3ARORCCHRNA7USP30

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
US-8124600-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-28 US disclosed
EP-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 EP disclosed