SCHEMBL4340461

SCHEMBL4340461

CN1CCC(N(C)C(=O)COc2cccc(Cl)c2Cl)CC1.COc1ccc(OCC(=O)N(C)C2CCN(C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
SIGMAR1 Q99720 1/20 0.56
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2A P28223 3/20 0.44
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
CCR5 P51681 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GRIN2C Q14957 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
GAA P10253 1/20 0.41
HTR2C P28335 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3049283 0.92 POLB (0.65) POLBSIGMAR1RAB9AMEN1KMT2A
SCHEMBL3038901 0.86 RAB9A (0.60) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL3050521 0.83 POLB (0.71) POLBSIGMAR1RAB9AMEN1KMT2A
SCHEMBL3051897 0.80 POLB (0.73) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4340481 0.79 HTT (0.42) POLBSIGMAR1RAB9AHTR2AALDH1A1
SCHEMBL3047425 0.79 MAPT (0.62) POLBRAB9AKMT2ASMN1; SMN2HTR2A
SCHEMBL3055296 0.76 POLB (0.67) POLBSIGMAR1RAB9AMEN1KMT2A
SCHEMBL3047069 0.75 POLB (0.57) POLBSIGMAR1RAB9AMEN1KMT2A
SCHEMBL3042587 0.75 POLB (0.69) POLBMEN1KMT2AHTR2ANPSR1
SCHEMBL3045219 0.73 HTR2A (0.56) POLBRAB9AMEN1KMT2ANPC1

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
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP claimed