SCHEMBL31414232

SCHEMBL31414232

NC(=O)c1ccc(Cn2cc(CCNC(=O)Cc3ccccc3)c3ccccc32)cc1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
HTR6 P50406 1/20 0.52
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PLA2G2A P14555 1/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PADI4 Q9UM07 1/20 0.44
PLA2G4A P47712 1/20 0.43
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL31414223 0.90 POLB (0.49) DRD2HTR6MTNR1AMTNR1BTP53
SCHEMBL31414221 0.87 MTNR1A (0.54) DRD2HTR6MTNR1AMTNR1BTP53
SCHEMBL31414233 0.87 DRD2 (0.47) DRD2HTR6MTNR1AMTNR1BTP53
SCHEMBL31414220 0.81 HDAC6 (0.48) DRD2HTR6ALDH1A1MAPTHDAC10
SCHEMBL31414237 0.81 MTNR1A (0.54) MTNR1AMTNR1BPLA2G2ATP53MEN1
SCHEMBL31414228 0.79 MTNR1A (0.54) HTR6MTNR1AMTNR1BPLA2G2ATP53
SCHEMBL31414227 0.79 MAPK1 (0.45) DRD2HTR6TP53MAPTMEN1
SCHEMBL31414229 0.78 MTNR1A (0.53) HTR6MTNR1AMTNR1BPLA2G2ATP53
SCHEMBL31414219 0.77 MTNR1A (0.58) MTNR1AMTNR1BPLA2G2ATP53HDAC6
SCHEMBL31414235 0.76 MTNR1A (0.58) MTNR1AMTNR1BPLA2G2ATP53MAPT

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
CN-119823019-A Indole compound with effect of treating idiopathic pulmonary fibrosis as well as preparation method and application thereof 沈阳药科大学 2025-04-15 CN disclosed