SCHEMBL31704950

SCHEMBL31704950

C[C@@H](N)c1ccc(-c2cc(C(F)(F)F)ccc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 4/20 0.46
▸ CASR P41180 3/20 0.42
▸ AKR1C3 P42330 3/20 0.41
▸ AKR1C2 P52895 3/20 0.41
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ CIT O14578 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ NEK1 Q96PY6 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL30913861 0.78 PDE2A (0.60) PDE2ACASRAKR1C3AKR1C2ADRB2
SCHEMBL268077 0.76 PDE2A (0.67) PDE2ACASRHTR2AHTR2CHTR2B
SCHEMBL701658 0.76 PDE2A (0.67) PDE2ACASRHTR2AHTR2CHTR2B
SCHEMBL335039 0.76 PDE2A (0.67) PDE2ACASRHTR2AHTR2CHTR2B
Bromide SCHEMBL28801001 0.74 PDE2A (0.64) PDE2ACASRAKR1C3AKR1C2HTR2A
Hydrochloric Acid SCHEMBL4935636 0.74 PDE2A (0.64) PDE2ACASRHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL20266800 0.74 PDE2A (0.64) PDE2ACASRHTR2AHTR2CHTR2B
Iodide SCHEMBL28800992 0.74 PDE2A (0.64) PDE2ACASRAKR1C3AKR1C2HTR2A
Hydrochloric Acid SCHEMBL27940422 0.74 PDE2A (0.64) PDE2ACASRHTR2AHTR2CHTR2B
SCHEMBL31705346 0.73 AKR1C3 (0.40) PDE2ACASRAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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