SCHEMBL26100540

SCHEMBL26100540

N#Cc1ccc(C(=O)N2CCC(OC(F)(F)F)CC2)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR1I2 O75469 2/20 0.41
CACNA1B Q00975 2/20 0.41
KDM1A O60341 2/20 0.41
SMO Q99835 1/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
POLB P06746 1/20 0.39
FASN P49327 4/20 0.39
GPR119 Q8TDV5 1/20 0.38
RBP4 P02753 1/20 0.38
SLC6A9 P48067 4/20 0.37
KCNH2 Q12809 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC9A1 P19634 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL30430028 1.00 MBTD1 (0.42) MBTD1L3MBTL3L3MBTL1NR1I2CACNA1B
SCHEMBL30429790 0.85 NR1I2 (0.42) NR1I2CACNA1BKDM1ASMOHCRTR1
SCHEMBL26099356 0.85 NR1I2 (0.42) NR1I2CACNA1BKDM1ASMOHCRTR1
SCHEMBL26103330 0.85 RORC (0.47) MBTD1L3MBTL3L3MBTL1KDM1APOLB
SCHEMBL30430483 0.85 L3MBTL3 (0.44) MBTD1L3MBTL3L3MBTL1NR1I2CACNA1B
SCHEMBL26104742 0.85 L3MBTL3 (0.44) MBTD1L3MBTL3L3MBTL1NR1I2CACNA1B
SCHEMBL26100203 0.82 KDM1A (0.43) MBTD1L3MBTL3L3MBTL1KDM1AHCRTR1
SCHEMBL26103351 0.81 L3MBTL3 (0.47) MBTD1L3MBTL3L3MBTL1KDM1APOLB
SCHEMBL26101079 0.80 F11 (0.45) MBTD1L3MBTL3L3MBTL1NR1I2CACNA1B
SCHEMBL30430006 0.77 NR1I2 (0.39) NR1I2CACNA1BKDM1ASMOHCRTR1

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
EP-4423090-A2 ANTAGONISTS OF GPR39 PROTEIN Vasocardea, Inc. (US) 2024-09-04 EP disclosed
WO-2023076219-A2 ANTAGONISTS OF GPR39 PROTEIN VASOCARDEA, INC. (US) 2023-05-04 WO disclosed
WO-2023076219-A2 ANTAGONISTS OF GPR39 PROTEIN VASOCARDEA, INC. (US) 2023-05-04 WO disclosed