SCHEMBL30744962

SCHEMBL30744962

COCc1cc(Br)cnc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 2/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
NFKB1 P19838 1/20 0.37
APEX1 P27695 1/20 0.37
GABRB3 P28472 1/20 0.37
CASP1 P29466 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 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
SCHEMBL20944537 1.00 OPRK1 (0.38) OPRK1NPSR1MAPK1KDM4ELMNA
SCHEMBL30745103 0.89 CYP4F2 (0.40) OPRK1NPSR1MAPK1KDM4ELMNA
SCHEMBL289465 0.89 CYP4F2 (0.40) OPRK1NPSR1MAPK1KDM4ELMNA
SCHEMBL22117014 0.87 TSHR (0.36) OPRK1NPSR1MAPK1KDM4ELMNA
SCHEMBL20944496 0.84 NPSR1 (0.39) NPSR1MAPK1KDM4ELMNAPOLB
SCHEMBL24369751 0.82 OPRK1 (0.40) OPRK1NPSR1MAPK1KDM4ELMNA
SCHEMBL19859150 0.81 KDM4E (0.40) OPRK1NPSR1MAPK1KDM4ELMNA
SCHEMBL31027123 0.81 OPRK1 (0.36) OPRK1NPSR1MAPK1KDM4ELMNA
SCHEMBL25171205 0.81 OPRK1 (0.36) OPRK1NPSR1MAPK1KDM4ELMNA
SCHEMBL6057160 0.78 NPSR1 (0.43) OPRK1NPSR1MAPK1TSHRHTT

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed