SCHEMBL31316848

SCHEMBL31316848

C=CCC(N)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
HTR2A P28223 2/20 0.41
CYP2C19 P33261 2/20 0.39
PYCR1 P32322 2/20 0.36
SLC6A4 P31645 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.34
TGM2 P21980 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL16564871 0.82 DPP4 (0.39) DPP4HTR2ACYP2C19PYCR1CYP2A6
SCHEMBL7435987 0.81 CHRNA7 (0.40) CYP2C19SLC6A4MAOAALDH1A1
SCHEMBL21009888 0.81 ATM (0.46) CYP2C19SLC6A4MAPK1
SCHEMBL4628662 0.81 DPP4 (0.41) DPP4CYP2C19SLC6A4
SCHEMBL30481074 0.81 ATM (0.46) CYP2C19SLC6A4MAPK1
SCHEMBL25187548 0.81 DPP4 (0.41) DPP4CYP2C19SLC6A4
SCHEMBL5428734 0.81 DPP4 (0.41) DPP4CYP2C19SLC6A4
SCHEMBL7406881 0.80 CYP2C19 (0.57) DPP4HTR2ACYP2C19ALDH1A1ALOX15
SCHEMBL898390 0.80 CYP2C19 (0.57) DPP4HTR2ACYP2C19ALDH1A1ALOX15
SCHEMBL4629946 0.80 CYP2C19 (0.57) DPP4HTR2ACYP2C19ALDH1A1ALOX15

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-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
WO-2025015178-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed