SCHEMBL208309

SCHEMBL208309

O=C1NCCC1C(c1ccc(-c2ccccc2)cc1C(F)(F)F)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ITGB2 P05107 5/20 0.34
ICAM1 P05362 5/20 0.34
ITGAL P20701 5/20 0.34
PTPN1 P18031 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32

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
SCHEMBL209347 0.90 PTPN1 (0.36) MEN1KMT2APTPN1PDE3BPDE3A
SCHEMBL208294 0.85 EPHX1 (0.36) MEN1KMT2ACYP1A2ALDH1A1NPC1
SCHEMBL5789580 0.76 PTPN1 (0.41) ITGB2ICAM1ITGALPTPN1RXFP1
SCHEMBL209365 0.75 PDE4A (0.38)
SCHEMBL2988655 0.74 PDE4D (0.38) ALDH1A1PDE3A
SCHEMBL2999256 0.73 PDE4D (0.41) NPC1PDE3A
SCHEMBL2993023 0.73 PDE4D (0.37) ALDH1A1PDE3A
SCHEMBL209392 0.71 ALDH1A1 (0.34) MEN1KMT2ACYP1A2ALDH1A1NPC1
SCHEMBL4696636 0.71 RCE1 (0.34) ALDH1A1
SCHEMBL208946 0.71 P2RX7 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2

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
US-8088776-B2 Biphenyl amide lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-01-03 US disclosed