SCHEMBL28790693

SCHEMBL28790693

C1=CN(Cc2ccccc2)CC=C1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SIGMAR1 Q99720 4/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ CASP5 P51878 1/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ CHKA P35790 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MC4R P32245 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL27827661 0.76 SIGMAR1 (0.38) ALDH1A1L3MBTL1LMNAMAPTMAPK1
SCHEMBL27807085 0.76 SIGMAR1 (0.42) LMNASIGMAR1DRD4MC4R
SCHEMBL27978570 0.75 — —
SCHEMBL24372312 0.75 GSK3A (0.39) ALDH1A1L3MBTL1LMNAMAPTMAPK1
Bromide SCHEMBL28711468 0.74 SIGMAR1 (0.37) ALDH1A1L3MBTL1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL27500541 0.74 SIGMAR1 (0.37) ALDH1A1L3MBTL1MAPK1SIGMAR1DRD4
SCHEMBL27450196 0.74 SIGMAR1 (0.41) LMNASIGMAR1DRD4TSHRMC4R
SCHEMBL11048801 0.74 SIGMAR1 (0.41) LMNASIGMAR1DRD4MC4RSMN1; SMN2
SCHEMBL25379874 0.73 LMNA (0.41) ALDH1A1LMNASIGMAR1GAATSHR
SCHEMBL8804597 0.73 SIGMAR1 (0.39) ALDH1A1LMNAMAPTSIGMAR1DRD4

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
CN-102056878-B Polyfluoro-1-alkane and method of manufacture therefor UNIMATEC CO LTD 2014-02-12 — — CN disclosed
CN-102056878-A Polyfluoro-1-alkane and method of manufacture therefor UNIMATEC CO LTD 2011-05-11 — — CN disclosed
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