SCHEMBL22255223

SCHEMBL22255223

CC(C)c1ccc(CN(C)C2CCC(N)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ PYCR1 P32322 1/20 0.41
▸ CHIT1 Q13231 1/20 0.37
▸ CHIA Q9BZP6 1/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ AGTR2 P50052 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ F2R P25116 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
SCHEMBL15970179 0.81 GRIN2B (0.48) HRH3HRH4AGTR2SLC6A4NAAA
SCHEMBL22255224 0.77 CNR2 (0.41) PYCR1IDO1CNR1CNR2TP53
SCHEMBL22255218 0.77 CNR2 (0.41) PYCR1IDO1CNR1CNR2TP53
SCHEMBL14850006 0.76 HRH3 (0.49) HRH3HRH4PYCR1CHIT1CHIA
SCHEMBL8272641 0.74 HRH4 (0.50) HRH3HRH4AGTR2
SCHEMBL22255181 0.73 SLC6A2 (0.39) PYCR1CHIT1CHIAIDO1CNR1
SCHEMBL16367150 0.72 HRH3 (0.51) HRH3HRH4PYCR1SLC6A2SLC6A4
SCHEMBL31097594 0.72 HRH3 (0.51) HRH3HRH4PYCR1SLC6A2SLC6A4
SCHEMBL21655001 0.71 HRH3 (0.45) HRH3HRH4PYCR1CHIT1CHIA
SCHEMBL16367134 0.71 GRIN2B (0.54) HRH3HRH4KDM4ENAAA

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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