SCHEMBL21179229

SCHEMBL21179229

CN(CCC(N)CSc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
HPGD P15428 1/20 0.40
FFAR1 O14842 1/20 0.39
ACKR3 P25106 1/20 0.38
EGFR P00533 1/20 0.36
MMP2 P08253 3/20 0.36
MMP3 P08254 3/20 0.36
MMP9 P14780 3/20 0.36
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.36
MMP8 P22894 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL26648003 1.00 MAOA (0.47) MAOAMAOBMTNR1AMTNR1BHPGD
SCHEMBL26830782 0.83 HTR2C (0.41) MAOAMAOBMTNR1AMTNR1BEGFR
SCHEMBL385308 0.83 MAOA (0.55) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL1541274 0.83 MAOA (0.55) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL9951252 0.83 MAOA (0.55) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL31282570 0.80 MAOA (0.38) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL1540363 0.79 MAOA (0.54) MAOAMAOBMTNR1AMTNR1BCA1
Hydrochloric Acid SCHEMBL25235890 0.78 MAOA (0.46) MAOAMAOBMTNR1AMTNR1BACKR3
Hydrochloric Acid SCHEMBL31570857 0.78 MAOA (0.46) MAOAMAOBMTNR1AMTNR1BACKR3
SCHEMBL1539939 0.78 MAOA (0.49) MAOAMAOBMTNR1AMTNR1BCA1

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
WO-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
EP-3743069-A1 BCL-2 PROTEINS DEGRADERS FOR CANCER TREATMENT BioVentures, LLC (US) 2020-12-02 EP disclosed
WO-2019144117-A1 BCL-2 PROTEINS DEGRADERS FOR CANCER TREATMENT BIOVENTURES, LLC (US) 2019-07-25 WO disclosed