SCHEMBL31345997

SCHEMBL31345997

Cc1cc(C(F)(F)F)cc(Cl)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 10/20 0.41
GABRA2 P47869 9/20 0.41
GABRB2 P47870 9/20 0.41
GABRP O00591 7/20 0.41
GABRD O14764 7/20 0.41
GABRA1 P14867 7/20 0.41
GABRB1 P18505 7/20 0.41
GABRG2 P18507 7/20 0.41
GABRA5 P31644 7/20 0.41
GABRA3 P34903 7/20 0.41
GABRA4 P48169 7/20 0.41
GABRE P78334 7/20 0.41
GABRA6 Q16445 7/20 0.41
GABRG1 Q8N1C3 7/20 0.41
GABRG3 Q99928 7/20 0.41
GABRQ Q9UN88 7/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL531609 1.00 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
Hydrochloric Acid SCHEMBL23531693 0.98 POLB (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL967220 0.86 ALDH1A1 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL30439201 0.86 ALDH1A1 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
Hydrochloric Acid SCHEMBL29123267 0.84 ALDH1A1 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL532346 0.84 POLB (0.56) POLBALDH1A1RAPGEF4CYP3A4TP53
SCHEMBL16150965 0.83 POLB (0.39) GABRB3GABRA2GABRB2GABRPGABRD
Nitrogen SCHEMBL28714282 0.82 ALDH1A1 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
Hydrochloric Acid SCHEMBL19857169 0.81 POLB (0.61) POLBALDH1A1RAPGEF4CYP3A4TP53
SCHEMBL29746198 0.80 ALDH1A1 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712967-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST Enveda Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024239000-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST ENVEDA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed