SCHEMBL8170449

SCHEMBL8170449

NC(N)CCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 20/20 0.61
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL8175287 0.87 KIF11 (0.63) KIF11
SCHEMBL3475080 0.79 KIF11 (0.67) KIF11KCNH2
SCHEMBL4397129 0.78 KIF11 (0.78) KIF11
SCHEMBL27608746 0.78 KIF11 (0.78) KIF11
SCHEMBL17189279 0.78 KIF11 (0.53) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL17502350 0.77 KIF11 (0.53) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8346825 0.76 KIF11 (0.60) KIF11
SCHEMBL2679441 0.76 KIF11 (1.00) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL6551716 0.76 KIF11 (0.61) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL4399790 0.75 KIF11 (1.00) KIF11

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-6127341-A AMINOMETHYL-N-(1-((2-(2-THIENYL)-1-(1-CARBAMOYL-5 -AMINOPENTYLCARBAMOYL)ETHYL)-N-METHYLCARBAMOYL)-2-(2 -NAPTHYL)ETHYL)BENZAMIDE, FOR EXAMPLE; ADMINISTERING TO STIMULATE GROWTH, MILK OR WOOL PRODUCTION IN ANIMALS NOVO NORDISK A/S (DK) 2000-10-03 US disclosed
EP-1005484-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2000-06-07 EP disclosed
WO-1998058950-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-12-30 WO disclosed