SCHEMBL2875252

SCHEMBL2875252

COC(=O)c1ccc(CC2CCCc3ccc(Br)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
TRPV1 Q8NER1 2/20 0.43
MTNR1B P49286 2/20 0.41
NQO2 P16083 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CYP4A11 Q02928 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP4F2 P78329 1/20 0.39

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
SCHEMBL2667002 0.86 MTNR1A (0.59) MTNR1ATRPV1MTNR1BNQO2
SCHEMBL5095627 0.80 ESR1 (0.69) MTNR1AESR1ESR2TRPV1MTNR1B
SCHEMBL5101693 0.79 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL7355324 0.76 MTNR1A (0.48) MTNR1ATRPV1MTNR1BNQO2KMT2A
SCHEMBL11569727 0.74 ESR1 (0.62) ESR1ESR2
SCHEMBL2384355 0.73 PTGS1 (0.53) KMT2ALOXL2
SCHEMBL2667112 0.72 MTNR1A (0.48) MTNR1AESR1ESR2TRPV1MTNR1B
SCHEMBL5397777 0.71 MTNR1A (0.62) MTNR1ATRPV1MTNR1BNQO2
SCHEMBL22652430 0.71 KMT2A (0.41) MTNR1AMTNR1BNQO2KMT2ALMNA
SCHEMBL7456002 0.71 KMT2A (0.44) MTNR1ATRPV1KMT2A

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