SCHEMBL3379685

SCHEMBL3379685

Cc1nc2c(-c3cccc(Cl)c3)cc(CBr)cn2c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.38
TRPA1 O75762 3/20 0.36
DHFR P00374 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP19A1 P11511 1/20 0.35
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7902720 0.88 DPP4 (0.39) DPP4DPP8DPP9LMNAMAPT
SCHEMBL7916793 0.88 DPP4 (0.39) DPP4DPP8DPP9LMNAMAPT
SCHEMBL3433258 0.83 DPP4 (0.38) DPP4DPP8DPP9LMNAMAPT
SCHEMBL3379679 0.80 DHFR (0.38) DPP4DPP8DPP9LMNAMAPT
SCHEMBL3380430 0.79 MAOB (0.38) DPP4DPP8DPP9LMNAMAPT
SCHEMBL3380282 0.78 CYP3A4 (0.39) RAB9AMAOBCYP2C9CYP2C19
SCHEMBL3380528 0.77 PDE4D (0.60) LMNAMAPTKMT2AALDH1A1CYP1A2
SCHEMBL3378785 0.75 GABRA2 (0.47) MAPTSMN1; SMN2KMT2ARAB9AKDM4E
SCHEMBL3381952 0.74 MAPK14 (0.43) KMT2AKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL3380717 0.72 PIK3CD (0.38)

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-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed