SCHEMBL6995016

SCHEMBL6995016

Clc1ccc2c(c1)SCc1cccnc1C2=C1CCNC2(C1)OO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.52
FNTB P49356 9/20 0.52
HRH1 P35367 10/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
ADRB2 P07550 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL6993629 0.84 HRH1 (0.69) FNTAFNTBHRH1MEN1LMNA
SCHEMBL6991026 0.81 HRH1 (0.41) FNTAFNTBHRH1MEN1LMNA
SCHEMBL6996008 0.77 FNTA (0.71) FNTAFNTBHRH1CHRM2HTR1A
SCHEMBL9734604 0.76 FNTA (0.58) FNTAFNTBHRH1MEN1LMNA
SCHEMBL9207035 0.76 FNTA (0.58) FNTAFNTBHRH1MEN1LMNA
SCHEMBL6993665 0.73 FNTA (0.56) FNTAFNTBHRH1MEN1LMNA
SCHEMBL9374487 0.72 PTAFR (0.73) FNTAFNTBHRH1PTAFRSLC6A15
SCHEMBL9214088 0.71 FNTA (0.75) FNTAFNTBHRH1PTAFR
SCHEMBL6996504 0.71 FNTA (0.51) FNTAFNTBHRH1MEN1LMNA
SCHEMBL9563106 0.70 FNTA (0.78) FNTAFNTBHRH1PTAFRSLC6A15

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-1021448-B1 TRICYCLIC COMPOUNDS HAVING ACTIVITY AS Ras-FPT INHIBITORS SCHERING CORP (US) 2003-05-02 EP disclosed
US-6130229-A Tricyclic compounds having activity as RAS-FPT inhibitors SCHERING CORPORATION (US) 2000-10-10 US disclosed