SCHEMBL702083

SCHEMBL702083

O=C(O)c1cccc2c1c(CNC1CN3CCC1CC3)nn2Cc1ccccc1.[LiH]

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.45
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RORC P51449 1/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PTGER4 P35408 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
SCHEMBL4324126 0.99 HTR3A (0.46) HTR3AGAASMN1; SMN2RORCCHRNA7
SCHEMBL701109 0.99 HTR3A (0.46) HTR3AGAASMN1; SMN2RORCCHRNA7
SCHEMBL701116 0.91 HTR3A (0.44) HTR3ARORCCHRNA7USP30
Lithium Ion SCHEMBL702082 0.91 HTR3A (0.44) HTR3AGAASMN1; SMN2CHRNA7MEN1
SCHEMBL702524 0.90 HTR3A (0.43) HTR3AGAASMN1; SMN2
SCHEMBL702525 0.90 HTR3A (0.43) HTR3AGAASMN1; SMN2
SCHEMBL4328332 0.90 HTR3A (0.45) HTR3ARORCCHRNA7USP30
SCHEMBL699894 0.90 HTR3A (0.45) HTR3ARORCCHRNA7USP30
SCHEMBL699893 0.90 HTR3A (0.45) HTR3ARORCCHRNA7USP30
SCHEMBL699992 0.89 HTR3A (0.42) HTR3AGAA

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 1 patent. 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