SCHEMBL6674044

SCHEMBL6674044

C=CCOC(=O)N1CCC(Oc2ccc3c(c2)CCN(C(=O)O)CC3C(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.49
▸ PLG P00747 9/20 0.49
▸ F2 P00734 4/20 0.49
▸ PRSS1 P07477 9/20 0.47
▸ PRSS2 P07478 9/20 0.47
▸ PRSS3 P35030 9/20 0.47
▸ GUCY1A1 Q02108 1/20 0.40
▸ GUCY1B1 Q02153 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.36

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
SCHEMBL6674048 0.85 F10 (0.50) F10PLGF2PRSS1PRSS2
SCHEMBL6674092 0.81 HRH3 (0.48) HRH3
SCHEMBL6672761 0.81 HRH3 (0.45) F10PLGF2PRSS1PRSS2
SCHEMBL6672245 0.80 F10 (0.57) F10PLGF2PRSS1PRSS2
SCHEMBL5551729 0.76 ESR1 (0.47) LMNA
SCHEMBL2121244 0.73 ESR1 (0.40) CHRM1
SCHEMBL5713459 0.73 GHSR (0.44) HRH3POLBCHRM2CHRM4CHRM5
SCHEMBL5165131 0.72 GRIN1 (0.54) HRH3
SCHEMBL4637682 0.71 NR1H2 (0.46) —
SCHEMBL2124644 0.70 ESR2 (0.45) —

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
WO-2004035544-A1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2004-04-29 — — WO disclosed
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