SCHEMBL7809133

SCHEMBL7809133

OC(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1sccc1Br

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ENPP2 Q13822 1/20 0.31

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
SCHEMBL7816830 0.86 SIRT2 (0.35) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL7809232 0.85 CYP11B1 (0.33) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL2202154 0.80 CYP11B1 (0.40) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL17651947 0.80 SIRT2 (0.36) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL5688715 0.80 SIRT2 (0.40) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL6965789 0.78 CYP11B1 (0.33) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL7813551 0.78 CYP11B1 (0.33) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL7813567 0.78 SIRT2 (0.36) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL845130 0.76 CYP11B1 (0.43) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL6965487 0.75 SIRT2 (0.33) SIRT2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889891-B1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO MCNEIL PHARM INC (US) 2001-06-06 EP disclosed
EP-0889891-A1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1999-01-13 EP disclosed
WO-1997035857-A1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1997-10-02 WO disclosed
US-5621113-A ALPHA 2 ADRENOCEPTOR AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-04-15 US disclosed