SCHEMBL27799208

SCHEMBL27799208

CCCC(=N)CCN1c2ccccc2CCC1C=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 11/20 0.46
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CHRM2 P08172 5/20 0.39
▸ CHRM4 P08173 5/20 0.39
▸ CHRM1 P11229 5/20 0.39
▸ CHRM3 P20309 4/20 0.39
▸ MTNR1B P49286 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL28229934 0.85 MTNR1A (0.55) MTNR1APOLBL3MBTL1CHRM2CHRM4
SCHEMBL27799205 0.83 ATAD2 (0.39) MTNR1A
SCHEMBL27778273 0.80 SIRT2 (0.43) MEN1ALDH1A1KMT2A
SCHEMBL27585383 0.78 MTNR1A (0.44) MTNR1AL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL27570842 0.77 MTNR1A (0.40) MTNR1APOLBL3MBTL1CHRM2CHRM4
SCHEMBL27807046 0.77 CHRM2 (0.44) MTNR1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL27668336 0.74 MTNR1A (0.39) MTNR1APOLBL3MBTL1CHRM2CHRM4
SCHEMBL27312907 0.74 MTNR1A (0.41) MTNR1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL27844281 0.73 MTNR1A (0.49) MTNR1APOLBL3MBTL1CHRM2CHRM4
SCHEMBL27570669 0.73 MTNR1A (0.40) MTNR1ACHRM2CHRM4CHRM1CHRM3

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
CN-101679397-A Quinolone and tetrahydroquinoline having NOS inhibitory activity and related compounds NEURAXON INC 2010-03-24 — — CN disclosed
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