SCHEMBL9733190

SCHEMBL9733190

COc1ccc2c(c1)c(CNCc1cccc(C(F)(F)F)c1)cn2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.60
HTR6 P50406 1/20 0.55
ADRB2 P07550 1/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
ICMT O60725 6/20 0.51
MITF O75030 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
Hydrochloric Acid SCHEMBL9733235 0.99 PLA2G2A (0.59) PLA2G2AHTR6ADRB2MTNR1AMTNR1B
SCHEMBL9732645 0.91 PLA2G2A (0.61) PLA2G2AHTR6ADRB2MTNR1AMTNR1B
SCHEMBL9732261 0.90 ICMT (0.56) PLA2G2AHTR6ADRB2MTNR1AMTNR1B
SCHEMBL9733098 0.89 ICMT (0.50) PLA2G2AADRB2ICMTPPARGPPARD
SCHEMBL9732896 0.88 PLA2G2A (0.69) PLA2G2AHTR6MTNR1AMTNR1BALDH1A1
SCHEMBL9731969 0.87 ICMT (0.50) PLA2G2AADRB2ICMTKDM4EMEN1
SCHEMBL9731962 0.86 PLA2G2A (0.61) PLA2G2AHTR6MTNR1AMTNR1BICMT
SCHEMBL9733236 0.85 HTR6 (0.50) HTR6ICMTKMT2AALDH1A1LMNA
SCHEMBL9733129 0.85 PLA2G2A (0.66) PLA2G2AHTR6MTNR1AMTNR1BKDM4E
SCHEMBL9732518 0.85 ICMT (0.48) PLA2G2AHTR6ADRB2ICMTKDM4E

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