SCHEMBL9760034

SCHEMBL9760034

CCOC(=O)N1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](OC)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 1/20 0.44
BRD4 O60885 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 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
SCHEMBL730653 1.00 MEN1 (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL9760026 1.00 MEN1 (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL7294575 0.88 KMT2A (0.42) MEN1KMT2ASMN1; SMN2CHRM2CHRM3
SCHEMBL7294562 0.88 KMT2A (0.42) MEN1KMT2ASMN1; SMN2CHRM2CHRM3
SCHEMBL7294568 0.88 KMT2A (0.42) MEN1KMT2ASMN1; SMN2CHRM2CHRM3
SCHEMBL13566528 0.87 KMT2A (0.41) MEN1KMT2ASMN1; SMN2L3MBTL1CHRM2
SCHEMBL14286832 0.86 MEN1 (0.51) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL15189740 0.84 L3MBTL1 (0.38) MEN1KMT2ASMN1; SMN2L3MBTL1CHRM2
SCHEMBL3872359 0.84 KMT2A (0.46) MEN1KMT2AL3MBTL1KDM4EBRD4
SCHEMBL14301507 0.79 OPRM1 (0.40) KMT2AALDH1A1

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
US-5041454-A Stimulate gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-20 US disclosed
US-4975439-A Gastrointestinal motility stimulating properties JANSSEN PHARMACEUTICAL N.V. (BE) 1990-12-04 US disclosed