SCHEMBL22493833

SCHEMBL22493833

COc1ccc(C[C@@H](C)NCCc2ccc(OC)nc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.54
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SLC2A1 P11166 2/20 0.46
▸ ADRB2 P07550 4/20 0.43
▸ ADRB3 P13945 1/20 0.42
▸ SLC6A4 P31645 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
SCHEMBL22493477 0.86 SIGMAR1 (0.51) SIGMAR1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL22493455 0.82 SIGMAR1 (0.46) SIGMAR1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL22493445 0.77 SIGMAR1 (0.49) SIGMAR1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL22480918 0.77 MEN1 (0.52) SIGMAR1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL22481217 0.77 ADRB2 (0.57) ADRB2ADRB3SLC6A4
SCHEMBL22493353 0.75 HTT (0.56) SIGMAR1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3621767 0.75 SIGMAR1 (0.84) SIGMAR1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL4019777 0.75 SIGMAR1 (0.84) SIGMAR1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL19505478 0.75 SIGMAR1 (0.84) SIGMAR1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL19498794 0.75 SIGMAR1 (0.89) SIGMAR1HTTSMN1; SMN2MEN1KMT2A

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
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