SCHEMBL8767328

SCHEMBL8767328

CCCNNc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 9/20 0.41
GABRB2 P47870 9/20 0.41
GABRB3 P28472 12/20 0.38
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL5746321 0.79 GAA (0.34) GABRA2GABRB2GABRB3ALDH1A1
Hydrochloric Acid SCHEMBL6578636 0.76 GAA (0.33) GABRA2GABRB2GABRB3
SCHEMBL1768628 0.71 PDE2A (0.40) GABRA2GABRB2GABRB3ALDH1A1
SCHEMBL5713364 0.70 GAA (0.45) NPSR1ALDH1A1LMNA
SCHEMBL26627748 0.68 TSHR (0.55) ALDH1A1LMNA
SCHEMBL9725591 0.67 PDE2A (0.40) GABRA2GABRB2ALDH1A1
SCHEMBL241686 0.67 ALDH1A1 (0.42) GABRA2GABRB2GABRB3NPSR1ALDH1A1
SCHEMBL13487562 0.67 GABRB3 (0.46) GABRA2GABRB2GABRB3
SCHEMBL12864135 0.67 GABRB3 (0.36) GABRB3ALDH1A1LMNAPKM
SCHEMBL16320650 0.67 GABRA2 (0.38) GABRA2GABRB2GABRB3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788484-A1 2-CHLORO-N- 1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-1H-PYRAZOL-5-YL]-PROPANAMIDE AND A METHOD OF PRODUCING THE SAME BAYER AG (DE) 1997-08-13 EP disclosed
WO-1996012707-A1 2-CHLORO-N-[1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-1H-PYRAZOL-5-YL]-PROPANAMIDE AND A METHOD OF PRODUCING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 1996-05-02 WO disclosed