SCHEMBL6159713

SCHEMBL6159713

[CH2]CC(CCCc1ccccc1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GOPC Q9HD26 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
TBXAS1 P24557 4/20 0.42
CYP2A6 P11509 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8091508 0.91 CYP2A6 (0.49) TBXAS1CYP2A6EPHX2TDP1L3MBTL1
SCHEMBL7752229 0.84 KCNH2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL7426041 0.81 CFTR (0.41) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL8197544 0.79 CYP19A1 (0.48) L3MBTL1
SCHEMBL9377632 0.77 TBXAS1 (0.51) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6157740 0.77 CYP2A6 (0.57) TBXAS1CYP2A6TDP1L3MBTL1
SCHEMBL6160319 0.75 CYP2A6 (0.64) SLC6A2SLC6A4SLC6A3TBXAS1CYP2A6
SCHEMBL6158950 0.75 CYP2A6 (0.59) SLC6A2SLC6A4SLC6A3TBXAS1CYP2A6
SCHEMBL8095259 0.74 CYP2A6 (0.43) TBXAS1CYP2A6TDP1L3MBTL1
SCHEMBL205557 0.73 CYP19A1 (0.49) SLC6A2SLC6A4SLC6A3SMN1; SMN2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129070-A4 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-03-02 EP disclosed
EP-1129070-A1 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-05 EP disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-2000027811-A1 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-18 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed