SCHEMBL14465259

SCHEMBL14465259

C=C/C=C\C(C)c1ccc(C(=O)N2CCN(C(C)c3ccncc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 4/20 0.39
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
CHRNA7 P36544 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL13600067 0.77 POLB (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL208307 0.71 ALDH1A1 (0.51) ALDH1A1KMT2AHRH3CYP2D6
SCHEMBL19562096 0.66 MAOB (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL14452939 0.66 EPHX2 (0.60) ALDH1A1KMT2AMEN1HRH3CYP2D6
Hydrochloric Acid SCHEMBL1597604 0.66 TSHR (0.64) ALDH1A1SMN1; SMN2LMNACYP3A4CYP2C9
SCHEMBL209672 0.65 GPR119 (0.49) ALDH1A1HRH3CYP3A4POLB
SCHEMBL10495198 0.65 ALDH1A1 (0.89) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL23709723 0.65 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL31350856 0.64 MAOB (0.82) ALDH1A1SMN1; SMN2KMT2AMEN1CYP2D6
SCHEMBL9426221 0.64 CHRNA7 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA

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-2007075629-A2 PHENOXYPIPERIDINES AND ANALOGS THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-07-05 WO disclosed