SCHEMBL702641

SCHEMBL702641

O=C(O)c1cccc2c1c(CCNC1CN3CCC1CC3)cn2-c1ccc(F)cc1.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
METTL3 Q86U44 3/20 0.37
METTL14 Q9HCE5 3/20 0.37
SIGMAR1 Q99720 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL4317110 0.99 SCN9A (0.47) SCN9AMEN1KMT2AMETTL3METTL14
SCHEMBL4317106 0.99 SCN9A (0.47) SCN9AMEN1KMT2AMETTL3METTL14
Lithium Ion SCHEMBL702549 0.90 MEN1 (0.40) SCN9AMEN1KMT2ASIGMAR1CHRM2
SCHEMBL700949 0.90 SCN9A (0.40) SCN9AMEN1KMT2ACHRM2CHRM1
SCHEMBL700948 0.90 SCN9A (0.40) SCN9AMEN1KMT2ACHRM2CHRM1
SCHEMBL700017 0.83 CHRM2 (0.47) SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL4324945 0.82 CHRM2 (0.48) SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL4325921 0.82 CHRM2 (0.48) SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL4324940 0.82 CHRM2 (0.48) SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL701006 0.81 HTR3A (0.43) CHRM2CHRM1CHRM3

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