SCHEMBL12414383

SCHEMBL12414383

Cc1ccc(CNCCCCN)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.75
▸ HRH4 Q9H3N8 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ HDAC3 O15379 2/20 0.51
▸ HDAC4 P56524 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ MC4R P32245 1/20 0.49
▸ MC5R P33032 1/20 0.49

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
SCHEMBL11638 0.94 CHRM2 (0.71) CHRM2HRH4HRH3HDAC3HDAC4
SCHEMBL4908750 0.90 CHRM2 (0.70) CHRM2HRH4HRH3HDAC3HDAC4
SCHEMBL22736796 0.88 MAOA (0.61) CHRM2HRH4HRH3CA12CA1
SCHEMBL15134858 0.88 CHRM2 (0.61) CHRM2HRH4HRH3CA12CA1
SCHEMBL4909529 0.86 CHRM2 (0.71) CHRM2HRH4HRH3HDAC3HDAC4
SCHEMBL4917375 0.86 CHRM2 (0.71) CHRM2HRH4HRH3HDAC3HDAC4
SCHEMBL4918917 0.86 CHRM2 (0.71) CHRM2HRH4HRH3HDAC3HDAC4
SCHEMBL19456501 0.86 MAOA (0.59) CHRM2HRH4HRH3CA12CA1
SCHEMBL12085625 0.86 MAOA (0.59) CHRM2HRH4HRH3CA12CA1
SCHEMBL12085510 0.84 CHRM2 (0.62) CHRM2CA12CA1CA2CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470933-B2 Coating for leak detection and method LOS ALAMOS NATIONAL SECURITY, LLC (US) 2013-06-25 — — US disclosed
US-20110165684-A1 COATING FOR LEAK DETECTION AND METHOD LOS ALAMOS NATIONAL SECURITY, LLC (US) 2011-07-07 — — US disclosed
US-7915047-B2 Coating for leak detection and method LOS ALAMOS NATIONAL SECURITY, LLC (US) 2011-03-29 — — US disclosed
US-20090131617-A1 Coating for leak detection and method THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-05-21 — — US disclosed
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