SCHEMBL9733982

SCHEMBL9733982

COc1ccc2c(c1)c(CN[C@@H](CO)c1ccccc1)cn2Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.62
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
HTR6 P50406 1/20 0.57
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
PTGS2 P35354 2/20 0.45
HDAC3 O15379 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
ICMT O60725 2/20 0.42
CHRNB2 P17787 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
SCHEMBL9732531 0.94 PLA2G2A (0.55) PLA2G2AMTNR1AMTNR1BHTR6LMNA
SCHEMBL9732883 0.86 PLA2G2A (0.62) PLA2G2AMTNR1AMTNR1BHTR6LMNA
SCHEMBL9732947 0.86 PLA2G2A (0.62) PLA2G2AMTNR1AMTNR1BHTR6LMNA
SCHEMBL9585680 0.85 PLA2G2A (0.67) PLA2G2AMTNR1AMTNR1BHTR6LMNA
SCHEMBL9585417 0.85 PLA2G2A (0.67) PLA2G2AMTNR1AMTNR1BHTR6LMNA
SCHEMBL10443452 0.85 PLA2G2A (0.67) PLA2G2AMTNR1AMTNR1BHTR6LMNA
SCHEMBL9732896 0.80 PLA2G2A (0.69) PLA2G2AMTNR1AMTNR1BHTR6LMNA
SCHEMBL9733129 0.78 PLA2G2A (0.66) PLA2G2AMTNR1AMTNR1BHTR6LMNA
SCHEMBL9733384 0.78 PLA2G2A (0.55) PLA2G2AMTNR1AMTNR1BHTR6LMNA
SCHEMBL9583699 0.78 HTR6 (0.72) PLA2G2AMTNR1AMTNR1BHTR6LMNA

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