SCHEMBL8051996

SCHEMBL8051996

[CH2]Cc1ccc2csccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2A6 P11509 6/20 0.35
CYP2B6 P20813 3/20 0.35
CYP2E1 P05181 2/20 0.35
KCNH2 Q12809 1/20 0.34
TDO2 P48775 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPRC P08575 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL3181212 0.84 CYP2A6 (0.47) MEN1USP2MAPTALOX15KMT2A
SCHEMBL2091183 0.84 MEN1 (0.34) MEN1USP2MAPTALOX15KMT2A
SCHEMBL8058493 0.83 CYP2A6 (0.35) CYP2A6CYP2B6CYP2E1KCNH2TDO2
SCHEMBL9111503 0.80 MEN1 (0.32) MEN1USP2MAPTALOX15KMT2A
SCHEMBL28141334 0.79 USP2 (0.39) MEN1USP2MAPTALOX15KMT2A
SCHEMBL6598549 0.79 MEN1 (0.39) MEN1USP2MAPTALOX15KMT2A
SCHEMBL28104229 0.79 MEN1 (0.36) MEN1USP2MAPTALOX15KMT2A
SCHEMBL27329701 0.72 MEN1 (0.38) MEN1USP2MAPTALOX15KMT2A
SCHEMBL5547140 0.71 MEN1 (0.37) MEN1USP2MAPTALOX15KMT2A
SCHEMBL8343615 0.68 CYP17A1 (0.56) CYP2A6CYP2B6CYP2E1KCNH2CYP17A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP disclosed