SCHEMBL27651306

SCHEMBL27651306

O=C(O)N1CCN(c2c(Cl)cc(O)cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
HSP90AA1 P07900 2/20 0.39
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.35
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCR4 P51679 1/20 0.35
NOTUM Q6P988 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL27953752 0.84 LMNA (0.39) HCAR2HSP90AA1LMNAMAPTALDH1A1
SCHEMBL23777655 0.80 NOTUM (0.54) HCAR2LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL27610637 0.79 AKR1C3 (0.49) HSP90AA1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4081817 0.79 HCAR2 (0.56) HCAR2LMNAMAPTALDH1A1CYP3A4
SCHEMBL17422311 0.79 KDM4E (0.37) LMNAALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL3187419 0.77 MEN1 (0.48) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL13416764 0.76 CCR4 (0.43) HSP90AA1MAPTCYP3A4HPGDCRHBP
SCHEMBL3194905 0.73 HTT (0.36) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL5414205 0.72 CHRM2 (0.52) LMNAALDH1A1SMN1; SMN2HPGDNOTUM
SCHEMBL631834 0.70 MAPT (0.68) LMNAMAPTALDH1A1GFERSMN1; 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
CN-1780818-A Phenyl-substituted cyclic derivatives FMC CORP (US) 2006-05-31 CN disclosed