SCHEMBL5316658

SCHEMBL5316658

COc1cc(CN(CCNC(=O)O)C(=O)Nc2ccc(F)cc2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.46
ERBB2 P04626 3/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
MCHR1 Q99705 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DUSP3 P51452 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ROCK2 O75116 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL14463969 0.88 MTNR1A (0.41) EGFRERBB2MTNR1AMTNR1BPOLB
SCHEMBL5320827 0.84 POLB (0.46) EGFRERBB2MTNR1AMTNR1BGAA
SCHEMBL5317248 0.83 TSHR (0.46) EGFRERBB2GAASMN1; SMN2TSHR
SCHEMBL5316415 0.79 TSHR (0.49) EGFRERBB2MTNR1AMTNR1BGAA
SCHEMBL5318568 0.77 TSHR (0.51) EGFRERBB2MTNR1AMTNR1BGAA
SCHEMBL14464506 0.76 TRPM8 (0.46) MTNR1AMTNR1BGAAPOLBTSHR
SCHEMBL14464060 0.75 TRPM8 (0.49) MTNR1AMTNR1BPOLBTSHRTDP1
SCHEMBL4091217 0.74 SMN1; SMN2 (0.52) GAASMN1; SMN2TSHRALDH1A1
SCHEMBL14464513 0.74 TRPM8 (0.61) GAAPOLBTSHRALDH1A1TDP1
SCHEMBL5321993 0.73 TRPM8 (0.67) MTNR1AMTNR1BTSHR

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-2007080109-A1 SUBSTITUDED BENZYLOXY-PHENYLMETHYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed