SCHEMBL3976741

SCHEMBL3976741

COC(=O)c1ccc2c(c1)c(CCCCNC(=O)c1ccc(C(C)(C)C)cc1)cn2-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK8 P45983 2/20 0.44
POLB P06746 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
ESRRG P62508 1/20 0.43
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PLA2G4A P47712 4/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
FGFR1 P11362 1/20 0.41

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
SCHEMBL3971256 0.92 NPC1 (0.47) MTNR1AMTNR1BNPC1RAB9AMAPK8
SCHEMBL13883789 0.84 MTNR1A (0.45) MTNR1AMTNR1BNPC1RAB9AMAPK8
SCHEMBL3972294 0.83 NAMPT (0.48) MTNR1AMTNR1BTMEM97SIGMAR1PLA2G4A
SCHEMBL13883856 0.82 MTNR1A (0.53) MTNR1AMTNR1BPLA2G4AFGFR1
SCHEMBL3972972 0.81 MTNR1A (0.52) MTNR1AMTNR1BPLA2G4AFGFR1
SCHEMBL13883750 0.80 ABCB1 (0.42) NPC1RAB9AMAPTSMN1; SMN2HDAC1
SCHEMBL3976494 0.80 NPC1 (0.52) MTNR1AMTNR1BNPC1RAB9AMAPK8
SCHEMBL13884082 0.79 MTNR1A (0.57) MTNR1AMTNR1BMAPK8PLA2G4AFGFR1
SCHEMBL3967405 0.79 MTNR1A (0.55) MTNR1AMTNR1BNPC1PLA2G4AFGFR1
SCHEMBL13883740 0.79 NPC1 (0.48) MTNR1AMTNR1BNPC1RAB9AMAPK8

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-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed