SCHEMBL22255182

SCHEMBL22255182

Cc1ccc(CC(C)N(C)C[C@H]2C[C@H](N)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 4/20 0.38
▸ ADRA2B P18089 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SIGMAR1 Q99720 4/20 0.36
▸ MAOB P27338 8/20 0.36
▸ MAOA P21397 6/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL22255190 1.00 SLC6A4 (0.38) SLC6A4ADRA2BADRA2CADRA1AOPRK1
SCHEMBL25541878 0.88 SLC6A4 (0.38) SLC6A4ADRA2BADRA2CADRA1AOPRK1
SCHEMBL25541874 0.85 TP53 (0.40) SLC6A4ADRA2BADRA2CADRA1AOPRK1
SCHEMBL22254875 0.83 CYP2D6 (0.37) SLC6A4CYP2D6
SCHEMBL25554413 0.73 ROCK2 (0.36) —
SCHEMBL22255196 0.72 SLC6A4 (0.35) SLC6A4ADRA2BADRA2CADRA1AOPRK1
SCHEMBL22255184 0.72 SIGMAR1 (0.53) SLC6A4SIGMAR1CYP1A2CYP2D6TSHR
SCHEMBL22255188 0.72 SIGMAR1 (0.53) SLC6A4SIGMAR1CYP1A2CYP2D6TSHR
SCHEMBL25531108 0.71 SIGMAR1 (0.41) SLC6A4ADRA2BADRA2CADRA1AOPRK1
SCHEMBL25531104 0.71 SIGMAR1 (0.41) SLC6A4ADRA2BADRA2CADRA1AOPRK1

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-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — WO disclosed
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