SCHEMBL5136194

SCHEMBL5136194

O=C(c1ccccc1OC(F)(F)F)N(Cc1ccccc1)C1Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.43
MTNR1A P48039 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.39
TRPM8 Q7Z2W7 3/20 0.39
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
HCN1 O60741 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
GCGR P47871 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL5134903 0.77 MTTP (0.50) ALDH1A1HCRTR1HCRTR2
SCHEMBL5137387 0.77 MEN1 (0.57) AGERMTNR1ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5138006 0.74 ALDH1A1 (0.50) AGERMTNR1ASMN1; SMN2OPRM1ALDH1A1
SCHEMBL5135800 0.73 TRPM8 (0.48) TSHRSMN1; SMN2ALDH1A1TRPM8
SCHEMBL5137981 0.73 OXTR (0.43) HCRTR1HCRTR2
SCHEMBL5136090 0.73 POLB (0.43) AGERMTNR1ATSHRALDH1A1HSD17B10
SCHEMBL5359589 0.72 MEN1 (0.51) SMN1; SMN2OPRM1ALDH1A1
SCHEMBL5135361 0.72 ALDH1A1 (0.55) AGERMTNR1ATSHRSMN1; SMN2OPRM1
SCHEMBL5135704 0.72 KMT2A (0.45) TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL5134499 0.71 HTR1A (0.40) AGERMTNR1ASMN1; SMN2OPRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed