SCHEMBL24767680

SCHEMBL24767680

Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(N4CCCC4)c(F)c3)cs2)n(C)c1=O

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.80
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.60
TRPA1 O75762 8/20 0.56
RXFP1 Q9HBX9 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PORCN Q9H237 2/20 0.50
TSHR P16473 1/20 0.50
TRPV4 Q9HBA0 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3249487 0.89 MAPT (1.00) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL13133516 0.89 MAPT (0.73) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL23544502 0.86 MAPT (0.72) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL18166657 0.85 MAPT (0.82) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL28771520 0.84 MAPT (0.56) MAPTTRPA1NPC1RAB9APORCN
SCHEMBL28771519 0.84 MAPT (0.56) MAPTTRPA1NPC1RAB9APORCN
SCHEMBL18166579 0.83 MAPT (0.76) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL18166721 0.83 MAPT (0.80) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL10114087 0.83 MAPT (1.00) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL4540036 0.83 MAPT (0.73) MAPTSMN1; SMN2LMNATRPA1RXFP1

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
EP-4105212-A1 PREPARATION METHOD FOR AND CRYSTAL FORM OF 3-ARYLOXY-3-FIVE-MEMBERED HETEROARYL-PROPYLAMINE COMPOUND Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd. (CN) 2022-12-21 EP disclosed