SCHEMBL2780428

SCHEMBL2780428

CCN(C)CC(=O)C1CCc2cc(Br)ccc2N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.34
▸ RIPK1 Q13546 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ PNMT P11086 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ METAP1 P53582 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ PDK1 Q15118 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK3 Q15120 1/20 0.31
▸ PDK4 Q16654 1/20 0.31
▸ LMNA P02545 2/20 0.31

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
SCHEMBL2777645 0.81 MTNR1A (0.35) MTNR1ARIPK1MEN1KMT2APOLB
SCHEMBL30358050 0.76 IGF1R (0.46) MTNR1ARIPK1MEN1KMT2APOLB
SCHEMBL3893061 0.76 IGF1R (0.46) MTNR1ARIPK1MEN1KMT2APOLB
SCHEMBL2777471 0.74 PNMT (0.38) MTNR1ARIPK1ADRA2APNMTADRA2B
SCHEMBL12878960 0.72 L3MBTL1 (0.38) MEN1KMT2APOLBADRA2APNMT
SCHEMBL2780995 0.71 MTNR1A (0.40) MTNR1ARIPK1ADRA2APNMTADRA2B
SCHEMBL12450088 0.69 KMT2A (0.42) MTNR1AMEN1KMT2APOLBLMNA
SCHEMBL6192228 0.68 PNMT (0.50) MTNR1APOLBADRA2APNMTADRA2B
SCHEMBL8652335 0.68 MTNR1A (0.41) MTNR1ARIPK1MEN1KMT2APOLB
SCHEMBL16585592 0.68 PNMT (0.45) RIPK1POLBADRA2APNMTADRA2B

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-2139886-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2010-01-06 — — EP disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 — — WO disclosed
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