SCHEMBL31414224

SCHEMBL31414224

COc1ccc2c(c1)c(CCNC(=O)Cc1cc(F)c(F)c(F)c1)cn2Cc1ccc(C(N)=O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.53
MTNR1B P49286 5/20 0.53
HDAC3 O15379 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
PLA2G2A P14555 2/20 0.47
NQO2 P16083 1/20 0.43
P2RX7 Q99572 1/20 0.42
EGFR P00533 1/20 0.41
IGF1R P08069 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL31414229 0.94 MTNR1A (0.53) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL31414228 0.93 MTNR1A (0.54) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL31414237 0.92 MTNR1A (0.54) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL31414226 0.89 MTNR1A (0.51) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL31414219 0.88 MTNR1A (0.58) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL31414235 0.87 MTNR1A (0.58) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL31414225 0.85 HDAC3 (0.56) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL31414234 0.84 MTNR1A (0.57) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL31414232 0.78 DRD2 (0.52) MTNR1AMTNR1BHDAC6PLA2G2ATP53
SCHEMBL31414223 0.75 POLB (0.49) MTNR1AMTNR1BHDAC6HDAC1TP53

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