SCHEMBL9733384

SCHEMBL9733384

COc1ccc2c(c1)c(CNC(C)c1cccc(C(F)(F)F)c1)cn2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.55
HTR6 P50406 1/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CASR P41180 7/20 0.48
ADRB2 P07550 1/20 0.46
ICMT O60725 2/20 0.46
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL9732947 0.89 PLA2G2A (0.62) PLA2G2AHTR6MTNR1AMTNR1BCASR
SCHEMBL9732883 0.89 PLA2G2A (0.62) PLA2G2AHTR6MTNR1AMTNR1BCASR
SCHEMBL10380958 0.88 PLA2G2A (0.59) PLA2G2AHTR6MTNR1AMTNR1BADRB2
SCHEMBL9733190 0.84 PLA2G2A (0.60) PLA2G2AHTR6MTNR1AMTNR1BADRB2
Hydrochloric Acid SCHEMBL9733235 0.83 PLA2G2A (0.59) PLA2G2AHTR6MTNR1AMTNR1BADRB2
SCHEMBL9732645 0.79 PLA2G2A (0.61) PLA2G2AHTR6MTNR1AMTNR1BADRB2
SCHEMBL9733982 0.78 PLA2G2A (0.62) PLA2G2AHTR6MTNR1AMTNR1BICMT
SCHEMBL10443452 0.78 PLA2G2A (0.67) PLA2G2AHTR6MTNR1AMTNR1BICMT
SCHEMBL9585417 0.78 PLA2G2A (0.67) PLA2G2AHTR6MTNR1AMTNR1BICMT
SCHEMBL9585680 0.78 PLA2G2A (0.67) PLA2G2AHTR6MTNR1AMTNR1BICMT

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