SCHEMBL14614599

SCHEMBL14614599

N[C@@H]1CCCc2nc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
MEN1 O00255 2/20 0.36
ALOX15 P16050 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
GRM5 P41594 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
P2RX7 Q99572 1/20 0.32
KLKB1 P03952 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL14614714 1.00 CHRNB2 (0.38) CHRNB2CHRNA4MEN1ALOX15KMT2A
SCHEMBL18795872 1.00 CHRNB2 (0.38) CHRNB2CHRNA4MEN1ALOX15KMT2A
SCHEMBL29364445 1.00 CHRNB2 (0.38) CHRNB2CHRNA4MEN1ALOX15KMT2A
SCHEMBL20538855 0.84 CHRNB2 (0.39) CHRNB2CHRNA4MEN1ALOX15KMT2A
SCHEMBL31247610 0.80 CHRNB2 (0.39) CHRNB2CHRNA4MEN1ALOX15KMT2A
SCHEMBL868299 0.79 GRM5 (0.52) CHRNB2CHRNA4CYP1A2TSHRGRM5
SCHEMBL12891722 0.79 CHRNB2 (0.38) CHRNB2CHRNA4MEN1KMT2AGRM5
SCHEMBL12891724 0.79 CHRNB2 (0.38) CHRNB2CHRNA4MEN1KMT2AGRM5
SCHEMBL19053737 0.79 GRM5 (0.36) MEN1ALOX15KMT2ACYP1A2TSHR
SCHEMBL20539382 0.76 SIRT1 (0.40) CHRNB2CHRNA4P2RX7KLKB1

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-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed