SCHEMBL3664038

SCHEMBL3664038

CCc1c[c]c(C)cc1-c1cc(Br)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
CES1 P23141 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
ACHE P22303 1/20 0.30
S100A4 P26447 1/20 0.30

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
SCHEMBL5089186 0.77 CETP (0.32) HTR2ASLC6A4KCNH2LMNAMAPT
SCHEMBL3664036 0.73 CYP1A2 (0.35) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5086384 0.73 ALDH1A1 (0.33) HTR2AALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4428502 0.71
SCHEMBL43286 0.69 GABRA1 (0.44) HTR2ASLC6A4KCNH2ALDH1A1CYP1A2
SCHEMBL29426994 0.69 GABRA1 (0.44) HTR2ASLC6A4KCNH2ALDH1A1CYP1A2
SCHEMBL4428497 0.69 HTT (0.35) ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL5086382 0.68 ALDH1A1 (0.33) HTR2AALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL5086321 0.67 ALKBH3 (0.36) HTR2ASLC6A4KCNH2ALDH1A1CYP1A2
SCHEMBL27799393 0.67 HTT (0.34) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238133-A2 FUNGICIDAL AMIDES E. I. du Pont de Nemours and Company (US) 2010-10-13 EP disclosed
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2009094407-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-30 WO disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed