SCHEMBL27909451

SCHEMBL27909451

O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)Nc1nc2ccc(F)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 1/20 0.58
GFER P55789 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CLK1 P49759 5/20 0.55
HTT P42858 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL27909367 0.88 SLC27A1 (0.61) SLC27A1L3MBTL1CLK1HTTSMN1; SMN2
SCHEMBL27927122 0.86 ALDH1A1 (0.69) L3MBTL1HTTSMN1; SMN2USP2CYP1A2
SCHEMBL8358629 0.82 SLC27A1 (0.63) SLC27A1GFERL3MBTL1CLK1POLB
SCHEMBL8354101 0.80 SLC27A1 (0.66) SLC27A1GFERL3MBTL1CLK1SMN1; SMN2
SCHEMBL3398002 0.79 SLC27A1 (0.62) SLC27A1GFERL3MBTL1CLK1ALDH1A1
SCHEMBL27927214 0.79 LMNA (0.52) SLC27A1L3MBTL1HTTSMN1; SMN2USP2
SCHEMBL8357081 0.79 SMN1; SMN2 (0.75) SLC27A1GFERL3MBTL1CLK1HTT
SCHEMBL3393148 0.77 SLC27A1 (0.62) SLC27A1GFERL3MBTL1CLK1HTT
SCHEMBL27909366 0.75 ALDH1A1 (0.56) L3MBTL1HTTSMN1; SMN2USP2CYP1A2
SCHEMBL27909443 0.74 KCNA5 (0.60) L3MBTL1HTTSMN1; SMN2USP2CYP1A2

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-103130745-A Diaryl-piperazines compound and medical application thereof INST PHARM & TOXICOLOGY AMMS 2013-06-05 CN claimed
CN-103130745-A Diaryl-piperazines compound and medical application thereof INST PHARM & TOXICOLOGY AMMS 2013-06-05 CN disclosed