SCHEMBL24529203

SCHEMBL24529203

COc1ccc([C@@H]2C[C@@]2(CBr)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.41
▸ MAOA P21397 2/20 0.41
▸ KDM1A O60341 4/20 0.40
▸ RCOR1 Q9UKL0 2/20 0.40
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33

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
SCHEMBL27179769 1.00 MAOB (0.41) MAOBMAOAKDM1ARCOR1MEN1
SCHEMBL24529187 0.85 KDM1A (0.40) MAOBMAOAKDM1ARCOR1MEN1
SCHEMBL24529194 0.85 KDM1A (0.40) MAOBMAOAKDM1ARCOR1MEN1
SCHEMBL26933019 0.75 MAOB (0.53) MAOBMAOAKDM1AMEN1KMT2A
SCHEMBL24529592 0.74 ALDH1A1 (0.43) MAOBMAOAKDM1ARCOR1MEN1
SCHEMBL27181178 0.74 ALDH1A1 (0.43) MAOBMAOAKDM1ARCOR1MEN1
SCHEMBL27771288 0.71 MAOA (0.47) MAOBMAOAKDM1AMEN1KMT2A
SCHEMBL12188964 0.69 MAOB (0.50) MAOBMAOAKDM1AMEN1KMT2A
SCHEMBL13888944 0.69 MAOB (0.50) MAOBMAOAKDM1AMEN1KMT2A
SCHEMBL11718044 0.68 MAOB (0.46) MAOBMAOAKDM1AMEN1KMT2A

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-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — WO disclosed
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