SCHEMBL9771007

SCHEMBL9771007

CC(CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ACHE P22303 12/20 0.50
BACE1 P56817 12/20 0.50
PTGIR P43119 1/20 0.44
LTB4R Q15722 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
SCHEMBL9771033 1.00 MEN1 (0.51) MEN1KMT2AACHEBACE1PTGIR
SCHEMBL8124166 0.83 TBXAS1 (0.48) KMT2APTGIRLTB4R
SCHEMBL9770992 0.81 PTGIR (0.64) MEN1KMT2AACHEBACE1PTGIR
SCHEMBL9770984 0.81 PTGIR (0.64) MEN1KMT2AACHEBACE1PTGIR
SCHEMBL9210200 0.81 PTGIR (0.68) PTGIRLTB4R
SCHEMBL9770961 0.79 KMT2A (0.57) MEN1KMT2AACHEBACE1PTGIR
SCHEMBL9771000 0.79 KMT2A (0.57) MEN1KMT2AACHEBACE1PTGIR
SCHEMBL5371862 0.74 FAAH (0.69)
SCHEMBL9200438 0.71 PTGIR (0.60) MEN1KMT2APTGIR
Biphenyl SCHEMBL9325687 0.69 ACE2 (0.61) LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021415-A Antithrombogenic agent BRISTOL-MYERS SQUIBB CO. (US) 1991-06-04 US claimed