SCHEMBL7972750

SCHEMBL7972750

O=CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.48
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ENPP2 Q13822 1/20 0.34
NMBR P28336 1/20 0.33

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
SCHEMBL1040511 0.99 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL3385872 0.90 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL4682017 0.89 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL4695670 0.88 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL1040962 0.84 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL5891927 0.84 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL7700148 0.81 SIRT2 (0.43) SIRT2NMBR
SCHEMBL7700153 0.81 SIRT2 (0.43) SIRT2NMBR
SCHEMBL7623008 0.81 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL4382643 0.79 SIRT2 (0.54) SIRT2CYP11B1CYP11B2ENPP2

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-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed