SCHEMBL1381691

SCHEMBL1381691

COCC(NC(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2n1)C1CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.62
SCN9A Q15858 5/20 0.49
ATF4 P18848 1/20 0.47
MAOB P27338 2/20 0.45
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
AVPR1B P47901 1/20 0.43

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
SCHEMBL1381004 0.79 HRH3 (0.65) HRH3SCN9AATF4AVPR1B
SCHEMBL1379003 0.78 HRH3 (0.62) HRH3
SCHEMBL2208642 0.78 HRH3 (0.78) HRH3SCN9APOLBMAPT
SCHEMBL1381470 0.78 HRH3 (0.63) HRH3SCN9AATF4
SCHEMBL2212118 0.78 HRH3 (0.71) HRH3SCN9AMAOB
SCHEMBL2210534 0.78 HRH3 (0.60) HRH3SCN9AATF4MAOBPOLB
SCHEMBL2209047 0.77 HRH3 (0.56) HRH3SCN9A
SCHEMBL2208663 0.77 HRH3 (0.83) HRH3SCN9A
SCHEMBL1379269 0.77 HRH3 (0.64) HRH3SCN9AATF4MAOBPOLB
SCHEMBL2210587 0.77 HRH3 (1.00) HRH3SCN9A

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
JP-4660553-B2 2011-03-30 JP claimed
EP-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP disclosed