SCHEMBL9733154

SCHEMBL9733154

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.50
HTR6 P50406 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
P2RX7 Q99572 1/20 0.42

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
SCHEMBL9732157 0.89 PLA2G2A (0.49) PLA2G2AHTR6MTNR1AMTNR1BCHRNB2
SCHEMBL9733129 0.86 PLA2G2A (0.66) PLA2G2AHTR6MTNR1AMTNR1BCHRNB2
SCHEMBL9732896 0.83 PLA2G2A (0.69) PLA2G2AHTR6MTNR1AMTNR1BCHRNB2
SCHEMBL9732518 0.83 ICMT (0.48) PLA2G2AHTR6KDM4EP2RX7
SCHEMBL9731962 0.78 PLA2G2A (0.61) PLA2G2AHTR6MTNR1AMTNR1BTP53
SCHEMBL9732645 0.78 PLA2G2A (0.61) PLA2G2AHTR6MTNR1AMTNR1BALDH1A1
SCHEMBL9734393 0.77 MAPT (0.51) PLA2G2AMTNR1AMTNR1BTP53SMN1; SMN2
SCHEMBL1609182 0.77 HDAC6 (0.59) PLA2G2AMTNR1AMTNR1B
SCHEMBL4251198 0.77 HDAC6 (0.47) PLA2G2AHTR6MTNR1AMTNR1BCHRNB2
SCHEMBL9732159 0.77 KDM4E (0.48) PLA2G2AHTR6TP53KDM4EALDH1A1

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
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