SCHEMBL2869448

SCHEMBL2869448

O=C1CCc2c(ccc(Br)c2Br)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP2C19 P33261 2/20 0.35
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL5683553 0.85 CYP2A6 (0.54) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL20722627 0.81 CYP2A6 (0.39) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL16044934 0.81 CYP2A6 (0.39) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL7934672 0.78 HTR2A (0.41) KDM4EHTR2AHTR2CHTR2B
SCHEMBL1662187 0.76 CYP2A6 (0.52) CYP2A6CYP1A2IL1RNERAP2ERAP1
SCHEMBL29385577 0.76 CYP2A6 (0.52) CYP2A6CYP1A2IL1RNERAP2ERAP1
SCHEMBL2675178 0.68 CYP2A6 (0.38) CYP2A6CYP3A4
SCHEMBL28088563 0.67 CYP2A6 (0.55) CYP2A6CYP1A2KDM4E
SCHEMBL3478078 0.65 ANPEP (0.49) CYP2A6CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL30748444 0.65 CYP2A6 (0.35) CYP2A6

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-0975583-B1 AROMATIC AMIDES, THEIR PREPARATION PROCESS AND THEIR USE AS PESTICIDES MERIAL LTD (US) 2010-10-20 EP disclosed
US-6555709-B1 Derivatives of 4-(naphth-2-ylmethyl)-N-(2-methylphenyl) benzamide; storing crops (cotton and rice); insecticides; miticides; nematocides; molluscs; anthelmintics; acarina; textiles; foods HOECHST SCHERING AGREVO S.A. (FR) 2003-04-29 US disclosed
EP-0975583-A1 AROMATIC AMIDES, THEIR PREPARATION PROCESS AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo S.A. (FR) 2000-02-02 EP disclosed
WO-1998045252-A1 AROMATIC AMIDES, THEIR PREPARATION PROCESS AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1998-10-15 WO disclosed