SCHEMBL22493353

SCHEMBL22493353

COc1ccc(C[C@@H](C)NCCc2ccc(C)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ SIGMAR1 Q99720 5/20 0.55
▸ SLC2A1 P11166 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PTAFR P25105 1/20 0.46
▸ ADRB3 P13945 1/20 0.45
▸ ADRB2 P07550 4/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL3621767 0.79 SIGMAR1 (0.84) HTTSMN1; SMN2SIGMAR1SLC2A1MEN1
SCHEMBL19505478 0.79 SIGMAR1 (0.84) HTTSMN1; SMN2SIGMAR1SLC2A1MEN1
SCHEMBL4019777 0.79 SIGMAR1 (0.84) HTTSMN1; SMN2SIGMAR1SLC2A1MEN1
Hydrochloric Acid SCHEMBL28449997 0.78 SIGMAR1 (0.82) HTTSMN1; SMN2SIGMAR1SLC2A1MEN1
Hydrochloric Acid SCHEMBL4015078 0.78 SIGMAR1 (0.82) HTTSMN1; SMN2SIGMAR1SLC2A1MEN1
Hydrochloric Acid SCHEMBL28835520 0.78 SIGMAR1 (0.82) HTTSMN1; SMN2SIGMAR1SLC2A1MEN1
SCHEMBL22481289 0.78 ADRB2 (0.63) SLC2A1ADRB3ADRB2
SCHEMBL22493445 0.76 SIGMAR1 (0.49) HTTSMN1; SMN2SIGMAR1SLC2A1MEN1
SCHEMBL22480918 0.76 MEN1 (0.52) HTTSMN1; SMN2SIGMAR1SLC2A1MEN1
SCHEMBL19498794 0.76 SIGMAR1 (0.89) HTTSMN1; SMN2SIGMAR1MEN1KMT2A

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