SCHEMBL10412908

SCHEMBL10412908

CCN(CCNC(C)=O)c1ccc(F)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 7/20 0.44
▸ MTNR1B P49286 7/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GFER P55789 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ S100B P04271 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL10625378 0.86 GFER (0.39) SMN1; SMN2MEN1GAAMAPTHTT
SCHEMBL2156631 0.85 S100B (0.60) MTNR1AMTNR1BSMN1; SMN2MEN1GAA
SCHEMBL244238 0.79 GFER (0.63) MTNR1AMTNR1BSMN1; SMN2MEN1GAA
SCHEMBL29387324 0.79 GFER (0.63) MTNR1AMTNR1BSMN1; SMN2MEN1GAA
SCHEMBL10412003 0.77 MAPT (0.54) SMN1; SMN2MEN1GAAMAPTHTT
SCHEMBL2156595 0.77 ALDH1A1 (0.55) MTNR1AMTNR1BSMN1; SMN2MEN1GAA
SCHEMBL1432654 0.77 MTNR1A (0.48) MTNR1AMTNR1BSMN1; SMN2MEN1GAA
SCHEMBL8978503 0.76 MTNR1A (0.68) MTNR1AMTNR1BSMN1; SMN2MEN1GAA
SCHEMBL4843540 0.76 ALDH1A1 (0.61) MTNR1AMTNR1BSMN1; SMN2MEN1GAA
SCHEMBL6732179 0.76 S100B (0.53) SMN1; SMN2MEN1MAPTKMT2AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4912258-A A 4-fluoroaniline compound BOEHRINGER MANNHEIM GMBH (DE) 1990-03-27 — — US claimed
EP-0161482-B1 FLUORINATED ANILINE DERIVATIVES AND THEIR USE Roche Diagnostics GmbH (DE) 1989-09-13 — — EP claimed
EP-0161482-A1 Fluorinated aniline derivatives and their use Roche Diagnostics GmbH (DE) 1985-11-21 — — EP claimed
US-4912258-A A 4-fluoroaniline compound BOEHRINGER MANNHEIM GMBH (DE) 1990-03-27 — — US disclosed
EP-0161482-B1 FLUORINATED ANILINE DERIVATIVES AND THEIR USE Roche Diagnostics GmbH (DE) 1989-09-13 — — EP disclosed
EP-0267247-A1 PROCESS AND REAGENT FOR DETECTING HEART LESIONS OR DISEASES Roche Diagnostics GmbH (DE) 1988-05-18 — — EP disclosed
WO-1987006619-A1 PROCESS AND REAGENT FOR DETECTING HEART LESIONS OR DISEASES BOEHRINGER MANNHEIM GMBH (DE) 1987-11-05 — — WO disclosed
EP-0243901-A1 Process and reagent for the detection of heart lesions or heart diseases Roche Diagnostics GmbH (DE) 1987-11-04 — — EP disclosed
EP-0161482-A1 Fluorinated aniline derivatives and their use Roche Diagnostics GmbH (DE) 1985-11-21 — — EP disclosed
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