SCHEMBL29817954

SCHEMBL29817954

CN1CCN(c2cc(CN)ccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NCF1 P14598 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ CHKA P35790 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ OPRL1 P41146 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL29493267 0.87 ALDH1A1 (0.51) ALDH1A1L3MBTL1NCF1POLBCA2
SCHEMBL2431131 0.87 ALDH1A1 (0.51) ALDH1A1L3MBTL1NCF1POLBCA2
SCHEMBL13736051 0.85 ALDH1A1 (0.42) ALDH1A1PRMT6MAPTKDM4EGAA
SCHEMBL29818145 0.84 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EGAARAD52
SCHEMBL27609222 0.81 HTR6 (0.45) ALDH1A1OPRL1MAPTGAASMN1; SMN2
SCHEMBL1238877 0.81 NCF1 (0.46) ALDH1A1NCF1MAPTKDM4EGAA
SCHEMBL4485868 0.79 MAPT (0.61) ALDH1A1L3MBTL1NCF1POLBCA2
SCHEMBL29493256 0.79 MAPT (0.45) ALDH1A1L3MBTL1NCF1POLBCA2
SCHEMBL18656450 0.79 NCF1 (0.35) ALDH1A1NCF1POLBMAPTKDM4E
SCHEMBL9300032 0.78 MAPT (0.60) ALDH1A1L3MBTL1NCF1POLBMAPT

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-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 — — WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 — — WO disclosed
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