SCHEMBL22255035

SCHEMBL22255035

CCN(C(C)Cc1ccc(N)cc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ ITGA5 P08648 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL24263035 0.71 MAOB (0.47) ALDH1A1L3MBTL1CYP3A4TSHRTDP1
SCHEMBL25541871 0.70 TP53 (0.38) EPHX1TSHRACACBSLC6A4
SCHEMBL25531102 0.70 TSHR (0.39) TSHRACACBSLC6A4
SCHEMBL10285127 0.69 ADH1A (0.38) —
SCHEMBL3085764 0.68 HRH3 (0.74) HRH4HRH3ALDH1A1PDE4AL3MBTL1
SCHEMBL24251170 0.68 SLC6A4 (0.60) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL25541884 0.68 TSHR (0.38) EPHX1TSHRDPP4DPP8DPP9
SCHEMBL22255195 0.68 TSHR (0.38) EPHX1TSHRDPP4DPP8DPP9
SCHEMBL4570869 0.67 ADH1A (0.43) ALDH1A1MEN1KMT2ATSHR
SCHEMBL13503176 0.67 ADH1A (0.43) ALDH1A1MEN1KMT2ATSHR

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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