SCHEMBL24045892

SCHEMBL24045892

O=C1C=CCCN1c1ccc(-c2cccc(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
ESR2 Q92731 1/20 0.41
PTGS2 P35354 1/20 0.41
DHODH Q02127 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
ROCK2 O75116 2/20 0.38
HSD11B1 P28845 1/20 0.38
GRM2 Q14416 1/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
PTPN1 P18031 1/20 0.37
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL24045704 0.83 KDM1A (0.42) PARP10PARP11CYP11B1CYP11B2HRH3
SCHEMBL24045876 0.80 BACE1 (0.40) PTGS2FAAHMGLLUSP2
SCHEMBL24045718 0.80 BRD4 (0.46) DHODHMGLLROCK2GRM2
SCHEMBL24045954 0.77 POLB (0.33) FAAHMGLLROCK2TSHR
SCHEMBL24045868 0.77 PTGS2 (0.44) PTGS2FAAHMGLL
SCHEMBL24045883 0.77 FPR2 (0.40) DHODHROCK2
SCHEMBL24045702 0.76 DGAT1 (0.44) DHODHHSD11B1GRM2CYP11B1CYP11B2
SCHEMBL24045802 0.76 MAPT (0.34) ROCK2HSD11B1HTR1A
SCHEMBL24045932 0.75 APP (0.47) DHODHCYP11B1CYP11B2CYP3A4
SCHEMBL24045705 0.75 BCHE (0.38) FAAHMGLLUSP2CYP3A4CYP2D6

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
EP-3414227-B1 PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed