SCHEMBL29620491

SCHEMBL29620491

C[C@H](N)c1ccc(Br)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.40
KDM1A O60341 3/20 0.39
KCNH2 Q12809 2/20 0.39
KDM1B Q8NB78 1/20 0.39
PDE2A O00408 3/20 0.37
AKT1 P31749 3/20 0.35
RPS6KA1 Q15418 3/20 0.35
PRKCA P17252 1/20 0.35
GRK2 P25098 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
KIF11 P52732 1/20 0.34
DPP4 P27487 1/20 0.34
SLC6A4 P31645 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
SCHEMBL16043564 1.00 ADRB2 (0.40) ADRB2KDM1AKCNH2KDM1BPDE2A
SCHEMBL31590279 1.00 ADRB2 (0.40) ADRB2KDM1AKCNH2KDM1BPDE2A
SCHEMBL15023130 1.00 ADRB2 (0.40) ADRB2KDM1AKCNH2KDM1BPDE2A
SCHEMBL27357109 1.00 ADRB2 (0.40) ADRB2KDM1AKCNH2KDM1BPDE2A
SCHEMBL7563537 0.83 ADRB2 (0.45) ADRB2PDE2AAKT1RPS6KA1PRKCA
SCHEMBL2609188 0.83 LMNA (0.40) ADRB2KDM1AKCNH2KDM1BRCOR1
SCHEMBL21831869 0.81 KDM1A (0.36) ADRB2KDM1AKCNH2KDM1BRCOR1
SCHEMBL30910946 0.81 KDM1A (0.36) ADRB2KDM1AKCNH2KDM1BRCOR1
SCHEMBL1585297 0.80 ADRB2 (0.50) ADRB2PDE2AAKT1RPS6KA1PRKCA
SCHEMBL6814502 0.80 ADRB2 (0.44) ADRB2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555597-B Isocitrate Dehydrogenase (IDH) inhibitors 浙江迈同生物医药有限公司 2024-06-04 CN disclosed
EP-4041732-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2022-08-17 EP disclosed
CN-114555597-A Isocitrate Dehydrogenase (IDH) inhibitors 浙江迈同生物医药有限公司 2022-05-27 CN disclosed