SCHEMBL9733129

SCHEMBL9733129

COc1ccc(CNCc2cn(Cc3ccccc3)c3ccc(OC)cc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.66
HTR6 P50406 2/20 0.64
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
LMNA P02545 3/20 0.54
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
PPARA Q07869 1/20 0.54
ALDH1A1 P00352 3/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL9732896 0.98 PLA2G2A (0.69) PLA2G2AHTR6MTNR1AMTNR1BLMNA
SCHEMBL9732645 0.91 PLA2G2A (0.61) PLA2G2AHTR6MTNR1AMTNR1BLMNA
SCHEMBL9731962 0.89 PLA2G2A (0.61) PLA2G2AHTR6MTNR1AMTNR1BLMNA
SCHEMBL9732531 0.88 PLA2G2A (0.55) PLA2G2AHTR6MTNR1AMTNR1BLMNA
SCHEMBL9733154 0.86 PLA2G2A (0.50) PLA2G2AHTR6MTNR1AMTNR1BPPARG
SCHEMBL9733190 0.85 PLA2G2A (0.60) PLA2G2AHTR6MTNR1AMTNR1BLMNA
SCHEMBL9732684 0.85 PLA2G2A (0.59) PLA2G2AHTR6MTNR1AMTNR1BLMNA
SCHEMBL9732157 0.85 PLA2G2A (0.49) PLA2G2AHTR6MTNR1AMTNR1BLMNA
Hydrochloric Acid SCHEMBL9733235 0.85 PLA2G2A (0.59) PLA2G2AHTR6MTNR1AMTNR1BLMNA
SCHEMBL12083183 0.83 PLA2G2A (0.74) PLA2G2AHTR6MTNR1AMTNR1BLMNA

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