SCHEMBL1672243

SCHEMBL1672243

CCn1nc(CCNC2CN3CCC2CC3)c2c(C(=O)O)c(C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
HTR3A P46098 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CHRNA7 P36544 4/20 0.34
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR3D Q70Z44 2/20 0.32
HTR3C Q8WXA8 2/20 0.32

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
SCHEMBL1672241 0.91 GAA (0.37) HTR3AMEN1KMT2AATMCHRNA7
SCHEMBL1672248 0.89 SIGMAR1 (0.40) SIGMAR1HTR3AMEN1KMT2ACHRNA7
SCHEMBL1672448 0.89 SIGMAR1 (0.39) SIGMAR1HTR3ACHRNA7HTR3EHTR3B
SCHEMBL1672705 0.86 SIGMAR1 (0.37) SIGMAR1HTR3ACHRNA7
SCHEMBL4326339 0.84 HTR3A (0.42) SIGMAR1HTR3A
SCHEMBL4326345 0.84 HTR3A (0.42) SIGMAR1HTR3A
SCHEMBL701065 0.83 HTR3A (0.41) SIGMAR1HTR3A
SCHEMBL1672396 0.81 GAA (0.35) HTR3AMEN1KMT2AATMCHRNA7
SCHEMBL1673270 0.79 GAA (0.38) MEN1KMT2ACHRNA7
Lithium Ion SCHEMBL700328 0.79 HTR3A (0.41) SIGMAR1HTR3A

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-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 EP disclosed
WO-2009155054-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-23 WO disclosed