SCHEMBL9563239

SCHEMBL9563239

ClC(c1ccccc1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HTR1E P28566 2/20 0.43
S1PR3 Q99500 2/20 0.43
MAPT P10636 1/20 0.43
CHRM3 P20309 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
PKM P14618 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL11754971 0.98 IDO1 (0.53) IDO1GAAL3MBTL1TSHRMEN1
SCHEMBL3722915 0.91 IDO1 (0.48) IDO1GAAL3MBTL1TSHR
SCHEMBL2794507 0.81 SLC6A2 (0.49)
SCHEMBL10677201 0.79 SLC6A2 (0.48)
SCHEMBL3393165 0.78 CHRM2 (0.53) TSHRCHRM3CHRM2CHRM4CHRM5
SCHEMBL10681729 0.77 CACNA2D1 (0.49) GAAL3MBTL1CHRM3CHRM2CHRM4
SCHEMBL6650399 0.76 GAA (0.55) IDO1GAAL3MBTL1MEN1KMT2A
SCHEMBL11868512 0.76 IDO1 (0.53) IDO1GAAL3MBTL1MEN1KMT2A
SCHEMBL1248051 0.74 IDO1 (0.57) IDO1GAAL3MBTL1MEN1KMT2A
SCHEMBL11277736 0.74 IDO1 (0.57) IDO1GAAL3MBTL1MEN1KMT2A

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
EP-0529365-A1 Diarylmethoxypiperidine derivatives Kaken Pharmaceutical Co., Ltd. (JP) 1993-03-03 EP disclosed
US-5190959-A Antihistamines, antiallergens, treatment of ischemic heart disease KAKEN PHARMACEUTICAL CO. LTD. (JP) 1993-03-02 US disclosed