SCHEMBL3370802

SCHEMBL3370802

N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(NCCCCCl)c1SC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 17/20 0.42
GABRA2 P47869 15/20 0.42
GABRB2 P47870 15/20 0.42
GABRP O00591 11/20 0.42
GABRD O14764 11/20 0.42
GABRA1 P14867 11/20 0.42
GABRB1 P18505 11/20 0.42
GABRG2 P18507 11/20 0.42
GABRA5 P31644 11/20 0.42
GABRA3 P34903 11/20 0.42
GABRA4 P48169 11/20 0.42
GABRE P78334 11/20 0.42
GABRA6 Q16445 11/20 0.42
GABRG1 Q8N1C3 11/20 0.42
GABRG3 Q99928 11/20 0.42
GABRQ Q9UN88 11/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6055762 0.88 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL709428 0.83 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7714908 0.82 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4092068 0.82 GABRA2 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL712966 0.82 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5217113 0.81 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4039283 0.81 GABRP (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4521212 0.81 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6623244 0.81 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14208660 0.81 GABRP (0.39) GABRB3GABRA2GABRB2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730115-B1 5-AMINOALKYLPYRAZOLE DERIVATIVES AS PESTICIDAL AGENTS MERIAL LTD (US) 2010-06-09 EP disclosed
EP-1730115-A1 5-AMINOALKYLPYRAZOLE DERIVATIVES AS PESTICIDAL AGENTS Merial Ltd. (US) 2006-12-13 EP disclosed
WO-2005090312-A1 5-AMINOALKYLPYRAZOLE DERIVATIVES AS PESTICIDAL AGENTS MERIAL LTD. (US) 2005-09-29 WO disclosed