SCHEMBL4787373

SCHEMBL4787373

O=C([AsH]C1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1OCC(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTTP P55157 11/20 0.63
▸ CHRM2 P08172 1/20 0.63
▸ ADRA2A P08913 1/20 0.63
▸ ADORA3 P0DMS8 1/20 0.63
▸ CHRM1 P11229 1/20 0.63
▸ DRD1 P21728 1/20 0.63
▸ TBXA2R P21731 1/20 0.63
▸ PTGS1 P23219 1/20 0.63
▸ SLC6A2 P23975 1/20 0.63
▸ ADRA1A P35348 1/20 0.63
▸ OPRM1 P35372 1/20 0.63
▸ DRD3 P35462 1/20 0.63
▸ SLC6A3 Q01959 1/20 0.63
▸ KCNH2 Q12809 1/20 0.63
▸ MTR Q99707 1/20 0.63

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
SCHEMBL474074 0.88 MTTP (0.78) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL16312430 0.80 MTTP (0.65) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL17729933 0.80 MTTP (0.65) MTTPCHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL18952720 0.79 MTTP (0.64) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL27595553 0.79 MTTP (0.64) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6186544 0.78 MTTP (0.72) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL1395278 0.78 MTTP (0.80) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7596509 0.77 MTTP (0.61) MTTPCHRM2ADRA2AADORA3CHRM1
Lomitapide SCHEMBL304604 0.77 MTTP (1.00) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL13046591 0.77 MTTP (0.78) MTTPCHRM2ADRA2AADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896424-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2008-03-12 — — EP disclosed
EP-1844028-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2007-10-17 — — EP disclosed
WO-2006138373-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 — — WO disclosed
WO-2006076633-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-κB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 — — WO disclosed
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