SCHEMBL8780415

SCHEMBL8780415

O=C(O)CC1CCCc2ccc(F)cc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.54
TBXA2R P21731 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
HTR6 P50406 3/20 0.42
FFAR1 O14842 2/20 0.42
NQO2 P16083 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NR3C1 P04150 1/20 0.40
PPARD Q03181 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40

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
SCHEMBL3745076 0.85 ESR1 (0.51) HTR6FFAR1NQO2MTNR1AMTNR1B
SCHEMBL3404726 0.85 ESR1 (0.51) HTR6FFAR1NQO2MTNR1AMTNR1B
SCHEMBL3406693 0.85 ESR1 (0.51) HTR6FFAR1NQO2MTNR1AMTNR1B
SCHEMBL3407321 0.82 FFAR1 (0.43) KDM4CFFAR1NQO2MTNR1AMTNR1B
SCHEMBL7566057 0.81 CYP11B1 (0.48) KDM4CHTR6NQO2MTNR1AMTNR1B
SCHEMBL30671703 0.80 KDM4C (0.55) KDM4CFFAR1PPARD
SCHEMBL8884747 0.79 MTNR1A (0.61) NQO2MTNR1AMTNR1BPPARD
SCHEMBL4077603 0.79 FFAR1 (0.60) FFAR1PPARD
SCHEMBL24593623 0.78 KDM4C (0.46) KDM4CHTR6NQO2MTNR1AMTNR1B
SCHEMBL15839921 0.78 HTR6 (0.54) KDM4CHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759025-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1997-02-26 EP disclosed
WO-1995030644-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-16 WO disclosed