SCHEMBL22493445

SCHEMBL22493445

COc1ccc(C[C@@H](C)NCCc2cc(F)cnc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.49
▸ SLC2A1 P11166 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ADRB2 P07550 4/20 0.41
▸ ADRB3 P13945 1/20 0.41

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
SCHEMBL22480918 0.86 MEN1 (0.52) SIGMAR1SLC2A1MEN1KMT2AHTT
SCHEMBL27437070 0.82 ALDH1A1 (0.45) MEN1KMT2AHTTSMN1; SMN2ADRB3
SCHEMBL22481225 0.78 ADRB2 (0.56) ADRB2ADRB3
SCHEMBL22493833 0.77 SIGMAR1 (0.54) SIGMAR1SLC2A1MEN1KMT2AHTT
SCHEMBL22493353 0.76 HTT (0.56) SIGMAR1SLC2A1MEN1KMT2AHTT
SCHEMBL22493477 0.74 SIGMAR1 (0.51) SIGMAR1SLC2A1MEN1KMT2AHTT
SCHEMBL19498797 0.73 SIGMAR1 (0.78) SIGMAR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL19505478 0.71 SIGMAR1 (0.84) SIGMAR1SLC2A1MEN1KMT2AHTT
SCHEMBL4019777 0.71 SIGMAR1 (0.84) SIGMAR1SLC2A1MEN1KMT2AHTT
SCHEMBL3621767 0.71 SIGMAR1 (0.84) SIGMAR1SLC2A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198466-A9 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-12-30 — — WO disclosed
WO-2020198466-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-10-01 — — WO disclosed
Send feedback