SCHEMBL9732157

SCHEMBL9732157

COc1ccc(CNCc2cn(Cc3ccccc3)c3cc(F)c(OC)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.49
TP53 P04637 2/20 0.48
HTR6 P50406 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
NTSR1 P30989 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
PAX8 Q06710 1/20 0.45
TLR9 Q9NR96 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL9733154 0.89 PLA2G2A (0.50) PLA2G2ATP53HTR6MTNR1AMTNR1B
SCHEMBL9732159 0.89 KDM4E (0.48) PLA2G2ATP53HTR6KDM4EALDH1A1
SCHEMBL9733129 0.85 PLA2G2A (0.66) PLA2G2AHTR6MTNR1AMTNR1BKDM4E
SCHEMBL9733077 0.84 ICMT (0.48) PLA2G2AHTR6KDM4EALDH1A1MAPT
SCHEMBL9733084 0.84 P2RX7 (0.52) PLA2G2ATP53KDM4EALDH1A1MAPT
SCHEMBL9732896 0.82 PLA2G2A (0.69) PLA2G2AHTR6MTNR1AMTNR1BALDH1A1
SCHEMBL9732645 0.79 PLA2G2A (0.61) PLA2G2AHTR6MTNR1AMTNR1BALDH1A1
SCHEMBL9734729 0.78 PLA2G2A (0.43) PLA2G2ATP53HTR6MTNR1AMTNR1B
SCHEMBL9731969 0.77 ICMT (0.50) PLA2G2ATP53KDM4EALDH1A1MAPT
SCHEMBL4251198 0.77 HDAC6 (0.47) PLA2G2ATP53HTR6MTNR1AMTNR1B

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
WO-1992007829-A1 INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1992-05-14 WO claimed
WO-1992007829-A1 INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1992-05-14 WO disclosed