SCHEMBL16229807

SCHEMBL16229807

CN1C2C1C21Cc2ccc(CCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.36
SLC2A1 P11166 2/20 0.35
TBXA2R P21731 2/20 0.34
KCNH2 Q12809 1/20 0.34
AKR1C3 P42330 1/20 0.34
EPHX2 P34913 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL16784656 0.93 SLC6A9 (0.35) SLC6A9SLC2A1
SCHEMBL16229747 0.90 SLC6A9 (0.43) SLC6A9KCNH2MAPTALDH1A1SMN1; SMN2
SCHEMBL16229785 0.90 DGAT1 (0.36) SLC6A9KCNH2TAAR1SMN1; SMN2
SCHEMBL16784655 0.88 SLC6A9 (0.50) SLC6A9KCNH2
SCHEMBL16229756 0.88 SLC6A9 (0.32) SLC6A9TBXA2RKCNH2AKR1C3EPHX2
SCHEMBL16229808 0.88 GALR3 (0.42) SLC6A9KCNH2
SCHEMBL16229776 0.87 SLC6A9 (0.36) SLC6A9SLC2A1TBXA2RAKR1C3EPHX2
SCHEMBL16784628 0.83 SLC6A9 (0.44) SLC6A9KCNH2MAPTALDH1A1SMN1; SMN2
SCHEMBL16229783 0.83 SLC6A9 (0.41) SLC6A9TBXA2RAKR1C3MAPT
SCHEMBL16784642 0.83 SLC6A9 (0.35) SLC6A9KCNH2MAPTLMNA

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-9051280-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US disclosed
US-8883839-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-11 US disclosed