SCHEMBL14200310

SCHEMBL14200310

CCCCN(CCC(C)(C)C)C(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL14200312 0.91 HTR1A (0.42) TACR1L3MBTL1MEN1KMT2ATDP1
SCHEMBL14229118 0.89 L3MBTL1 (0.52) TACR1L3MBTL1MEN1KMT2ATDP1
SCHEMBL14230000 0.85 TACR1 (0.49) TACR1L3MBTL1MEN1KMT2ATDP1
SCHEMBL8913882 0.84 TACR1 (0.57) TACR1L3MBTL1MEN1KMT2ATDP1
SCHEMBL8376444 0.75 TACR1 (0.49) TACR1L3MBTL1MEN1KMT2ATDP1
SCHEMBL11506406 0.74 HTR1A (0.67) TACR1TDP1SIGMAR1HTR1ACA12
SCHEMBL11228139 0.74 TACR1 (0.40) TACR1L3MBTL1MEN1KMT2ATDP1
SCHEMBL8014785 0.73 TACR1 (0.65) TACR1HTR1ACA12CA1CA9
SCHEMBL14200263 0.73 CNR2 (0.46) L3MBTL1SIGMAR1CA12CA1CA9
SCHEMBL8605252 0.72 POLB (0.60) TACR1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed